data_RR2
#

_chem_comp.id                                   RR2
_chem_comp.name                                 "(mu-11,11'-bidipyrido[3,2-a:2',3'-c]phenazine-1kappa~2~N~4~,N~5~:2kappa~2~N~4'~,N~5'~)[tetrakis(1,10-phenanthroline-kappa~2~N~1~,N~10~)]diruthenium"
_chem_comp.type                                 NON-POLYMER
_chem_comp.pdbx_type                            HETAIN
_chem_comp.formula                              "C84 H50 N16 Ru2"
_chem_comp.mon_nstd_parent_comp_id              ?
_chem_comp.pdbx_synonyms                        ?
_chem_comp.pdbx_formal_charge                   0
_chem_comp.pdbx_initial_date                    2012-10-05
_chem_comp.pdbx_modified_date                   2014-02-28
_chem_comp.pdbx_ambiguous_flag                  N
_chem_comp.pdbx_release_status                  REL
_chem_comp.pdbx_replaced_by                     ?
_chem_comp.pdbx_replaces                        ?
_chem_comp.formula_weight                       1485.543
_chem_comp.one_letter_code                      ?
_chem_comp.three_letter_code                    RR2
_chem_comp.pdbx_model_coordinates_details       ?
_chem_comp.pdbx_model_coordinates_missing_flag  N
_chem_comp.pdbx_ideal_coordinates_details       Corina
_chem_comp.pdbx_ideal_coordinates_missing_flag  Y
_chem_comp.pdbx_model_coordinates_db_code       4GQJ
_chem_comp.pdbx_subcomponent_list               ?
_chem_comp.pdbx_processing_site                 RCSB
#   #
loop_
_chem_comp_atom.comp_id
_chem_comp_atom.atom_id
_chem_comp_atom.alt_atom_id
_chem_comp_atom.type_symbol
_chem_comp_atom.charge
_chem_comp_atom.pdbx_align
_chem_comp_atom.pdbx_aromatic_flag
_chem_comp_atom.pdbx_leaving_atom_flag
_chem_comp_atom.pdbx_stereo_config
_chem_comp_atom.model_Cartn_x
_chem_comp_atom.model_Cartn_y
_chem_comp_atom.model_Cartn_z
_chem_comp_atom.pdbx_model_Cartn_x_ideal
_chem_comp_atom.pdbx_model_Cartn_y_ideal
_chem_comp_atom.pdbx_model_Cartn_z_ideal
_chem_comp_atom.pdbx_component_atom_id
_chem_comp_atom.pdbx_component_comp_id
_chem_comp_atom.pdbx_ordinal
RR2  CA1  CA1  C   0  1  Y  N  N   0.972  -46.167  11.292  ?  ?  ?  CA1  RR2    1  
RR2  CA2  CA2  C   0  1  Y  N  N   0.855  -45.355  10.160  ?  ?  ?  CA2  RR2    2  
RR2  CA3  CA3  C   0  1  Y  N  N   1.537  -44.146  10.076  ?  ?  ?  CA3  RR2    3  
RR2  NA1  NA1  N   0  1  Y  N  N   1.735  -45.831  12.335  ?  ?  ?  NA1  RR2    4  
RR2  CA4  CA4  C   0  1  Y  N  N   2.418  -44.684  12.317  ?  ?  ?  CA4  RR2    5  
RR2  CA5  CA5  C   0  1  Y  N  N   2.329  -43.778  11.150  ?  ?  ?  CA5  RR2    6  
RR2  CA6  CA6  C   0  1  Y  N  N   3.035  -42.583  11.136  ?  ?  ?  CA6  RR2    7  
RR2  CA7  CA7  C   0  1  Y  N  N   3.845  -42.192  12.203  ?  ?  ?  CA7  RR2    8  
RR2  CA8  CA8  C   0  1  Y  N  N   3.269  -44.277  13.443  ?  ?  ?  CA8  RR2    9  
RR2  NA2  NA2  N   0  1  Y  N  N   3.402  -45.038  14.550  ?  ?  ?  NA2  RR2   10  
RR2  CA9  CA9  C   0  1  Y  N  N   3.988  -42.982  13.338  ?  ?  ?  CA9  RR2   11  
RR2  CA0  CA0  C   0  1  Y  N  N   4.793  -42.585  14.400  ?  ?  ?  CA0  RR2   12  
RR2  CAA  CAA  C   0  1  Y  N  N   4.879  -43.422  15.512  ?  ?  ?  CAA  RR2   13  
RR2  CAB  CAB  C   0  1  Y  N  N   4.178  -44.632  15.562  ?  ?  ?  CAB  RR2   14  
RR2  CB1  CB1  C   0  1  Y  N  N  -0.298  -44.738  14.702  ?  ?  ?  CB1  RR2   15  
RR2  CB2  CB2  C   0  1  Y  N  N  -1.315  -44.410  15.600  ?  ?  ?  CB2  RR2   16  
RR2  CB3  CB3  C   0  1  Y  N  N  -1.342  -44.960  16.878  ?  ?  ?  CB3  RR2   17  
RR2  NB1  NB1  N   0  1  Y  N  N   0.682  -45.586  15.032  ?  ?  ?  NB1  RR2   18  
RR2  CB4  CB4  C   0  1  Y  N  N   0.715  -46.142  16.248  ?  ?  ?  CB4  RR2   19  
RR2  CB5  CB5  C   0  1  Y  N  N  -0.331  -45.837  17.245  ?  ?  ?  CB5  RR2   20  
RR2  CB6  CB6  C   0  1  Y  N  N  -0.292  -46.421  18.511  ?  ?  ?  CB6  RR2   21  
RR2  CB7  CB7  C   0  1  Y  N  N   0.721  -47.307  18.877  ?  ?  ?  CB7  RR2   22  
RR2  CB8  CB8  C   0  1  Y  N  N   1.781  -47.064  16.634  ?  ?  ?  CB8  RR2   23  
RR2  NB2  NB2  N   0  1  Y  N  N   2.761  -47.378  15.786  ?  ?  ?  NB2  RR2   24  
RR2  CB9  CB9  C   0  1  Y  N  N   1.741  -47.641  17.992  ?  ?  ?  CB9  RR2   25  
RR2  CB0  CB0  C   0  1  Y  N  N   2.749  -48.513  18.354  ?  ?  ?  CB0  RR2   26  
RR2  CBA  CBA  C   0  1  Y  N  N   3.738  -48.802  17.421  ?  ?  ?  CBA  RR2   27  
RR2  CBB  CBB  C   0  1  Y  N  N   3.723  -48.227  16.151  ?  ?  ?  CBB  RR2   28  
RR2  CC1  CC1  C   0  1  Y  N  N   7.447  -63.306  -1.831  ?  ?  ?  CC1  RR2   29  
RR2  CC2  CC2  C   0  1  Y  N  N   8.490  -63.780  -2.608  ?  ?  ?  CC2  RR2   30  
RR2  CC3  CC3  C   0  1  Y  N  N   9.576  -64.400  -2.000  ?  ?  ?  CC3  RR2   31  
RR2  NC1  NC1  N   0  1  Y  N  N   7.449  -63.425  -0.500  ?  ?  ?  NC1  RR2   32  
RR2  CC4  CC4  C   0  1  Y  N  N   8.465  -64.017   0.148  ?  ?  ?  CC4  RR2   33  
RR2  CC5  CC5  C   0  1  Y  N  N   9.607  -64.540  -0.623  ?  ?  ?  CC5  RR2   34  
RR2  CC6  CC6  C   0  1  Y  N  N  10.672  -65.153   0.025  ?  ?  ?  CC6  RR2   35  
RR2  CC7  CC7  C   0  1  Y  N  N  10.706  -65.300   1.409  ?  ?  ?  CC7  RR2   36  
RR2  CC8  CC8  C   0  1  Y  N  N   8.500  -64.171   1.621  ?  ?  ?  CC8  RR2   37  
RR2  NC2  NC2  N   0  1  Y  N  N   7.509  -63.729   2.416  ?  ?  ?  NC2  RR2   38  
RR2  CC9  CC9  C   0  1  Y  N  N   9.678  -64.836   2.214  ?  ?  ?  CC9  RR2   39  
RR2  CC0  CC0  C   0  1  Y  N  N   9.723  -64.981   3.588  ?  ?  ?  CC0  RR2   40  
RR2  CCA  CCA  C   0  1  Y  N  N   8.663  -64.496   4.346  ?  ?  ?  CCA  RR2   41  
RR2  CCB  CCB  C   0  1  Y  N  N   7.574  -63.876   3.740  ?  ?  ?  CCB  RR2   42  
RR2  CD1  CD1  C   0  1  Y  N  N   4.911  -61.117  -1.037  ?  ?  ?  CD1  RR2   43  
RR2  CD2  CD2  C   0  1  Y  N  N   3.900  -60.986  -1.992  ?  ?  ?  CD2  RR2   44  
RR2  CD3  CD3  C   0  1  Y  N  N   3.043  -62.047  -2.272  ?  ?  ?  CD3  RR2   45  
RR2  ND1  ND1  N   0  1  Y  N  N   5.087  -62.259  -0.363  ?  ?  ?  ND1  RR2   46  
RR2  CD4  CD4  C   0  1  Y  N  N   4.298  -63.332  -0.587  ?  ?  ?  CD4  RR2   47  
RR2  CD5  CD5  C   0  1  Y  N  N   3.205  -63.245  -1.588  ?  ?  ?  CD5  RR2   48  
RR2  CD6  CD6  C   0  1  Y  N  N   2.375  -64.342  -1.830  ?  ?  ?  CD6  RR2   49  
RR2  CD7  CD7  C   0  1  Y  N  N   2.538  -65.553  -1.149  ?  ?  ?  CD7  RR2   50  
RR2  CD8  CD8  C   0  1  Y  N  N   4.474  -64.618   0.136  ?  ?  ?  CD8  RR2   51  
RR2  ND2  ND2  N   0  1  Y  N  N   5.431  -64.796   1.071  ?  ?  ?  ND2  RR2   52  
RR2  CD9  CD9  C   0  1  Y  N  N   3.542  -65.728  -0.195  ?  ?  ?  CD9  RR2   53  
RR2  CD0  CD0  C   0  1  Y  N  N   3.696  -66.932   0.475  ?  ?  ?  CD0  RR2   54  
RR2  CDA  CDA  C   0  1  Y  N  N   4.713  -67.041   1.425  ?  ?  ?  CDA  RR2   55  
RR2  CDB  CDB  C   0  1  Y  N  N   5.560  -65.966   1.702  ?  ?  ?  CDB  RR2   56  
RR2  RU1  RU1  RU  0  0  N  N  N   2.202  -46.502  14.179  ?  ?  ?  RU1  RR2   57  
RR2  RU2  RU2  RU  0  0  N  N  N   6.309  -63.004   1.040  ?  ?  ?  RU2  RR2   58  
RR2  C11  C11  C   0  1  Y  N  N   4.368  -55.205   6.921  ?  ?  ?  C11  RR2   59  
RR2  C10  C10  C   0  1  Y  N  N   4.108  -56.512   6.511  ?  ?  ?  C10  RR2   60  
RR2  C12  C12  C   0  1  Y  N  N   5.386  -54.557   6.224  ?  ?  ?  C12  RR2   61  
RR2  C13  C13  C   0  1  Y  N  N   6.116  -55.184   5.203  ?  ?  ?  C13  RR2   62  
RR2  C9B  C9B  C   0  1  Y  N  N   5.868  -56.481   4.814  ?  ?  ?  C9B  RR2   63  
RR2  C9A  C9A  C   0  1  Y  N  N   4.855  -57.122   5.490  ?  ?  ?  C9A  RR2   64  
RR2  N9   N9   N   0  1  Y  N  N   4.586  -58.387   5.142  ?  ?  ?  N9   RR2   65  
RR2  N14  N14  N   0  1  Y  N  N   6.582  -57.102   3.816  ?  ?  ?  N14  RR2   66  
RR2  C8C  C8C  C   0  1  Y  N  N   6.286  -58.390   3.473  ?  ?  ?  C8C  RR2   67  
RR2  C8D  C8D  C   0  1  Y  N  N   6.970  -59.200   2.404  ?  ?  ?  C8D  RR2   68  
RR2  C4A  C4A  C   0  1  Y  N  N   6.583  -60.528   2.130  ?  ?  ?  C4A  RR2   69  
RR2  N4   N4   N   0  1  Y  N  N   7.144  -61.311   1.188  ?  ?  ?  N4   RR2   70  
RR2  C3   C3   C   0  1  Y  N  N   8.131  -60.795   0.471  ?  ?  ?  C3   RR2   71  
RR2  C2   C2   C   0  1  Y  N  N   8.564  -59.479   0.689  ?  ?  ?  C2   RR2   72  
RR2  C1   C1   C   0  1  Y  N  N   7.988  -58.666   1.658  ?  ?  ?  C1   RR2   73  
RR2  C8B  C8B  C   0  1  Y  N  N   5.268  -59.012   4.166  ?  ?  ?  C8B  RR2   74  
RR2  C8A  C8A  C   0  1  Y  N  N   4.899  -60.409   3.843  ?  ?  ?  C8A  RR2   75  
RR2  C4B  C4B  C   0  1  Y  N  N   5.559  -61.116   2.850  ?  ?  ?  C4B  RR2   76  
RR2  C8   C8   C   0  1  Y  N  N   3.891  -61.008   4.552  ?  ?  ?  C8   RR2   77  
RR2  C7   C7   C   0  1  Y  N  N   3.580  -62.305   4.227  ?  ?  ?  C7   RR2   78  
RR2  C6   C6   C   0  1  Y  N  N   4.270  -62.984   3.220  ?  ?  ?  C6   RR2   79  
RR2  N5   N5   N   0  1  Y  N  N   5.236  -62.381   2.558  ?  ?  ?  N5   RR2   80  
RR2  C31  C31  C   0  1  Y  N  N   3.550  -54.436   7.966  ?  ?  ?  C31  RR2   81  
RR2  C30  C30  C   0  1  Y  N  N   4.113  -53.273   8.535  ?  ?  ?  C30  RR2   82  
RR2  C32  C32  C   0  1  Y  N  N   2.200  -54.690   8.224  ?  ?  ?  C32  RR2   83  
RR2  C33  C33  C   0  1  Y  N  N   1.497  -53.884   9.140  ?  ?  ?  C33  RR2   84  
RR2  C9D  C9D  C   0  1  Y  N  N   2.093  -52.770   9.759  ?  ?  ?  C9D  RR2   85  
RR2  C9C  C9C  C   0  1  Y  N  N   3.422  -52.453   9.454  ?  ?  ?  C9C  RR2   86  
RR2  N29  N29  N   0  1  Y  N  N   4.024  -51.357  10.050  ?  ?  ?  N29  RR2   87  
RR2  N    N    N   0  1  Y  N  N   1.408  -51.981  10.643  ?  ?  ?  N    RR2   88  
RR2  C8G  C8G  C   0  1  Y  N  N   2.008  -50.889  11.230  ?  ?  ?  C8G  RR2   89  
RR2  C8H  C8H  C   0  1  Y  N  N   1.286  -49.997  12.206  ?  ?  ?  C8H  RR2   90  
RR2  C4C  C4C  C   0  1  Y  N  N   1.895  -48.894  12.802  ?  ?  ?  C4C  RR2   91  
RR2  N24  N24  N   0  1  Y  N  N   1.275  -48.095  13.673  ?  ?  ?  N24  RR2   92  
RR2  C23  C23  C   0  1  Y  N  N   0.016  -48.310  14.022  ?  ?  ?  C23  RR2   93  
RR2  C22  C22  C   0  1  Y  N  N  -0.658  -49.389  13.470  ?  ?  ?  C22  RR2   94  
RR2  C21  C21  C   0  1  Y  N  N  -0.026  -50.241  12.558  ?  ?  ?  C21  RR2   95  
RR2  C8F  C8F  C   0  1  Y  N  N   3.340  -50.563  10.936  ?  ?  ?  C8F  RR2   96  
RR2  C8E  C8E  C   0  1  Y  N  N   3.941  -49.349  11.621  ?  ?  ?  C8E  RR2   97  
RR2  C4D  C4D  C   0  1  Y  N  N   3.192  -48.563  12.529  ?  ?  ?  C4D  RR2   98  
RR2  C28  C28  C   0  1  Y  N  N   5.250  -48.975  11.378  ?  ?  ?  C28  RR2   99  
RR2  C27  C27  C   0  1  Y  N  N   5.718  -47.853  12.053  ?  ?  ?  C27  RR2  100  
RR2  C26  C26  C   0  1  Y  N  N   4.899  -47.130  12.940  ?  ?  ?  C26  RR2  101  
RR2  N25  N25  N   0  1  Y  N  N   3.635  -47.473  13.192  ?  ?  ?  N25  RR2  102  
RR2  H1   H1   H   0  1  N  N  N   0.426  -47.098  11.324  ?  ?  ?  H1   RR2  103  
RR2  H2   H2   H   0  1  N  N  N   0.227  -45.671   9.340  ?  ?  ?  H2   RR2  104  
RR2  H3   H3   H   0  1  N  N  N   1.452  -43.516   9.203  ?  ?  ?  H3   RR2  105  
RR2  H4   H4   H   0  1  N  N  N   2.955  -41.937  10.274  ?  ?  ?  H4   RR2  106  
RR2  H5   H5   H   0  1  N  N  N   4.374  -41.252  12.146  ?  ?  ?  H5   RR2  107  
RR2  H6   H6   H   0  1  N  N  N   5.337  -41.653  14.365  ?  ?  ?  H6   RR2  108  
RR2  H7   H7   H   0  1  N  N  N   5.497  -43.131  16.349  ?  ?  ?  H7   RR2  109  
RR2  H8   H8   H   0  1  N  N  N   4.265  -45.255  16.440  ?  ?  ?  H8   RR2  110  
RR2  H9   H9   H   0  1  N  N  N  -0.303  -44.296  13.717  ?  ?  ?  H9   RR2  111  
RR2  H10  H10  H   0  1  N  N  N  -2.090  -43.721  15.299  ?  ?  ?  H10  RR2  112  
RR2  H11  H11  H   0  1  N  N  N  -2.133  -44.710  17.570  ?  ?  ?  H11  RR2  113  
RR2  H12  H12  H   0  1  N  N  N  -1.065  -46.181  19.226  ?  ?  ?  H12  RR2  114  
RR2  H13  H13  H   0  1  N  N  N   0.713  -47.742  19.866  ?  ?  ?  H13  RR2  115  
RR2  H14  H14  H   0  1  N  N  N   2.768  -48.959  19.337  ?  ?  ?  H14  RR2  116  
RR2  H15  H15  H   0  1  N  N  N   4.533  -49.484  17.685  ?  ?  ?  H15  RR2  117  
RR2  H16  H16  H   0  1  N  N  N   4.506  -48.474  15.449  ?  ?  ?  H16  RR2  118  
RR2  H17  H17  H   0  1  N  N  N   6.608  -62.827  -2.314  ?  ?  ?  H17  RR2  119  
RR2  H18  H18  H   0  1  N  N  N   8.460  -63.669  -3.682  ?  ?  ?  H18  RR2  120  
RR2  H19  H19  H   0  1  N  N  N  10.393  -64.771  -2.600  ?  ?  ?  H19  RR2  121  
RR2  H20  H20  H   0  1  N  N  N  11.498  -65.527  -0.562  ?  ?  ?  H20  RR2  122  
RR2  H21  H21  H   0  1  N  N  N  11.554  -65.788   1.866  ?  ?  ?  H21  RR2  123  
RR2  H22  H22  H   0  1  N  N  N  10.565  -65.462   4.064  ?  ?  ?  H22  RR2  124  
RR2  H23  H23  H   0  1  N  N  N   8.685  -64.602   5.421  ?  ?  ?  H23  RR2  125  
RR2  H24  H24  H   0  1  N  N  N   6.766  -63.507   4.354  ?  ?  ?  H24  RR2  126  
RR2  H25  H25  H   0  1  N  N  N   5.564  -60.280  -0.839  ?  ?  ?  H25  RR2  127  
RR2  H26  H26  H   0  1  N  N  N   3.782  -60.051  -2.519  ?  ?  ?  H26  RR2  128  
RR2  H27  H27  H   0  1  N  N  N   2.263  -61.940  -3.011  ?  ?  ?  H27  RR2  129  
RR2  H28  H28  H   0  1  N  N  N   1.586  -64.253  -2.562  ?  ?  ?  H28  RR2  130  
RR2  H29  H29  H   0  1  N  N  N   1.870  -66.373  -1.367  ?  ?  ?  H29  RR2  131  
RR2  H30  H30  H   0  1  N  N  N   3.044  -67.767   0.267  ?  ?  ?  H30  RR2  132  
RR2  H31  H31  H   0  1  N  N  N   4.847  -67.973   1.955  ?  ?  ?  H31  RR2  133  
RR2  H32  H32  H   0  1  N  N  N   6.337  -66.083   2.443  ?  ?  ?  H32  RR2  134  
RR2  H33  H33  H   0  1  N  N  N   3.315  -57.068   6.989  ?  ?  ?  H33  RR2  135  
RR2  H34  H34  H   0  1  N  N  N   5.622  -53.534   6.479  ?  ?  ?  H34  RR2  136  
RR2  H35  H35  H   0  1  N  N  N   6.899  -54.631   4.706  ?  ?  ?  H35  RR2  137  
RR2  H36  H36  H   0  1  N  N  N   8.608  -61.395  -0.290  ?  ?  ?  H36  RR2  138  
RR2  H37  H37  H   0  1  N  N  N   9.369  -59.086   0.086  ?  ?  ?  H37  RR2  139  
RR2  H38  H38  H   0  1  N  N  N   8.329  -57.654   1.817  ?  ?  ?  H38  RR2  140  
RR2  H39  H39  H   0  1  N  N  N   3.363  -60.482   5.334  ?  ?  ?  H39  RR2  141  
RR2  H40  H40  H   0  1  N  N  N   2.787  -62.810   4.760  ?  ?  ?  H40  RR2  142  
RR2  H41  H41  H   0  1  N  N  N   4.011  -64.005   2.984  ?  ?  ?  H41  RR2  143  
RR2  H42  H42  H   0  1  N  N  N   5.119  -52.998   8.254  ?  ?  ?  H42  RR2  144  
RR2  H43  H43  H   0  1  N  N  N   1.697  -55.503   7.722  ?  ?  ?  H43  RR2  145  
RR2  H44  H44  H   0  1  N  N  N   0.471  -54.128   9.374  ?  ?  ?  H44  RR2  146  
RR2  H45  H45  H   0  1  N  N  N  -0.478  -47.656  14.725  ?  ?  ?  H45  RR2  147  
RR2  H46  H46  H   0  1  N  N  N  -1.685  -49.574  13.748  ?  ?  ?  H46  RR2  148  
RR2  H47  H47  H   0  1  N  N  N  -0.558  -51.080  12.134  ?  ?  ?  H47  RR2  149  
RR2  H48  H48  H   0  1  N  N  N   5.879  -49.528  10.696  ?  ?  ?  H48  RR2  150  
RR2  H49  H49  H   0  1  N  N  N   6.735  -47.528  11.893  ?  ?  ?  H49  RR2  151  
RR2  H50  H50  H   0  1  N  N  N   5.310  -46.263  13.436  ?  ?  ?  H50  RR2  152  
#   #
loop_
_chem_comp_bond.comp_id
_chem_comp_bond.atom_id_1
_chem_comp_bond.atom_id_2
_chem_comp_bond.value_order
_chem_comp_bond.pdbx_aromatic_flag
_chem_comp_bond.pdbx_stereo_config
_chem_comp_bond.pdbx_ordinal
RR2  CA1  NA1  DOUB  Y  N    1  
RR2  CA1  H1   SING  N  N    2  
RR2  CA2  CA1  SING  Y  N    3  
RR2  CA2  H2   SING  N  N    4  
RR2  CA3  CA2  DOUB  Y  N    5  
RR2  CA3  CA5  SING  Y  N    6  
RR2  CA3  H3   SING  N  N    7  
RR2  NA1  RU1  SING  N  N    8  
RR2  CA4  NA1  SING  Y  N    9  
RR2  CA4  CA8  DOUB  Y  N   10  
RR2  CA5  CA4  SING  Y  N   11  
RR2  CA6  CA5  DOUB  Y  N   12  
RR2  CA6  CA7  SING  Y  N   13  
RR2  CA6  H4   SING  N  N   14  
RR2  CA7  CA9  DOUB  Y  N   15  
RR2  CA7  H5   SING  N  N   16  
RR2  CA8  NA2  SING  Y  N   17  
RR2  NA2  CAB  DOUB  Y  N   18  
RR2  CA9  CA8  SING  Y  N   19  
RR2  CA9  CA0  SING  Y  N   20  
RR2  CA0  CAA  DOUB  Y  N   21  
RR2  CA0  H6   SING  N  N   22  
RR2  CAA  CAB  SING  Y  N   23  
RR2  CAA  H7   SING  N  N   24  
RR2  CAB  H8   SING  N  N   25  
RR2  CB1  NB1  DOUB  Y  N   26  
RR2  CB1  CB2  SING  Y  N   27  
RR2  CB1  H9   SING  N  N   28  
RR2  CB2  CB3  DOUB  Y  N   29  
RR2  CB2  H10  SING  N  N   30  
RR2  CB3  CB5  SING  Y  N   31  
RR2  CB3  H11  SING  N  N   32  
RR2  NB1  CB4  SING  Y  N   33  
RR2  CB4  CB8  DOUB  Y  N   34  
RR2  CB4  CB5  SING  Y  N   35  
RR2  CB5  CB6  DOUB  Y  N   36  
RR2  CB6  CB7  SING  Y  N   37  
RR2  CB6  H12  SING  N  N   38  
RR2  CB7  H13  SING  N  N   39  
RR2  CB8  CB9  SING  Y  N   40  
RR2  NB2  CBB  DOUB  Y  N   41  
RR2  NB2  CB8  SING  Y  N   42  
RR2  CB9  CB0  SING  Y  N   43  
RR2  CB9  CB7  DOUB  Y  N   44  
RR2  CB0  H14  SING  N  N   45  
RR2  CBA  CB0  DOUB  Y  N   46  
RR2  CBA  H15  SING  N  N   47  
RR2  CBB  CBA  SING  Y  N   48  
RR2  CBB  H16  SING  N  N   49  
RR2  CC1  NC1  DOUB  Y  N   50  
RR2  CC1  H17  SING  N  N   51  
RR2  CC2  CC3  DOUB  Y  N   52  
RR2  CC2  CC1  SING  Y  N   53  
RR2  CC2  H18  SING  N  N   54  
RR2  CC3  CC5  SING  Y  N   55  
RR2  CC3  H19  SING  N  N   56  
RR2  NC1  CC4  SING  Y  N   57  
RR2  NC1  RU2  SING  N  N   58  
RR2  CC4  CC8  DOUB  Y  N   59  
RR2  CC5  CC6  DOUB  Y  N   60  
RR2  CC5  CC4  SING  Y  N   61  
RR2  CC6  CC7  SING  Y  N   62  
RR2  CC6  H20  SING  N  N   63  
RR2  CC7  CC9  DOUB  Y  N   64  
RR2  CC7  H21  SING  N  N   65  
RR2  CC8  CC9  SING  Y  N   66  
RR2  CC8  NC2  SING  Y  N   67  
RR2  NC2  CCB  DOUB  Y  N   68  
RR2  CC9  CC0  SING  Y  N   69  
RR2  CC0  CCA  DOUB  Y  N   70  
RR2  CC0  H22  SING  N  N   71  
RR2  CCA  H23  SING  N  N   72  
RR2  CCB  CCA  SING  Y  N   73  
RR2  CCB  H24  SING  N  N   74  
RR2  CD1  ND1  DOUB  Y  N   75  
RR2  CD1  H25  SING  N  N   76  
RR2  CD2  CD1  SING  Y  N   77  
RR2  CD2  H26  SING  N  N   78  
RR2  CD3  CD2  DOUB  Y  N   79  
RR2  CD3  CD5  SING  Y  N   80  
RR2  CD3  H27  SING  N  N   81  
RR2  ND1  RU2  SING  N  N   82  
RR2  CD4  ND1  SING  Y  N   83  
RR2  CD4  CD8  DOUB  Y  N   84  
RR2  CD5  CD4  SING  Y  N   85  
RR2  CD6  CD5  DOUB  Y  N   86  
RR2  CD6  CD7  SING  Y  N   87  
RR2  CD6  H28  SING  N  N   88  
RR2  CD7  CD9  DOUB  Y  N   89  
RR2  CD7  H29  SING  N  N   90  
RR2  CD8  ND2  SING  Y  N   91  
RR2  ND2  CDB  DOUB  Y  N   92  
RR2  CD9  CD8  SING  Y  N   93  
RR2  CD9  CD0  SING  Y  N   94  
RR2  CD0  CDA  DOUB  Y  N   95  
RR2  CD0  H30  SING  N  N   96  
RR2  CDA  CDB  SING  Y  N   97  
RR2  CDA  H31  SING  N  N   98  
RR2  CDB  H32  SING  N  N   99  
RR2  RU1  NA2  SING  N  N  100  
RR2  RU1  NB1  SING  N  N  101  
RR2  RU1  NB2  SING  N  N  102  
RR2  RU2  ND2  SING  N  N  103  
RR2  RU2  N4   SING  N  N  104  
RR2  RU2  NC2  SING  N  N  105  
RR2  RU2  N5   SING  N  N  106  
RR2  C11  C31  SING  N  N  107  
RR2  C10  C11  SING  Y  N  108  
RR2  C10  H33  SING  N  N  109  
RR2  C12  C11  DOUB  Y  N  110  
RR2  C12  H34  SING  N  N  111  
RR2  C13  C12  SING  Y  N  112  
RR2  C13  H35  SING  N  N  113  
RR2  C9B  C13  DOUB  Y  N  114  
RR2  C9B  C9A  SING  Y  N  115  
RR2  C9A  C10  DOUB  Y  N  116  
RR2  N9   C9A  SING  Y  N  117  
RR2  N14  C9B  SING  Y  N  118  
RR2  C8C  N14  DOUB  Y  N  119  
RR2  C8C  C8B  SING  Y  N  120  
RR2  C8D  C8C  SING  Y  N  121  
RR2  C4A  C8D  SING  Y  N  122  
RR2  C4A  C4B  SING  Y  N  123  
RR2  N4   C4A  DOUB  Y  N  124  
RR2  C3   C2   DOUB  Y  N  125  
RR2  C3   N4   SING  Y  N  126  
RR2  C3   H36  SING  N  N  127  
RR2  C2   C1   SING  Y  N  128  
RR2  C2   H37  SING  N  N  129  
RR2  C1   C8D  DOUB  Y  N  130  
RR2  C1   H38  SING  N  N  131  
RR2  C8B  N9   DOUB  Y  N  132  
RR2  C8A  C8B  SING  Y  N  133  
RR2  C8A  C8   DOUB  Y  N  134  
RR2  C4B  C8A  SING  Y  N  135  
RR2  C8   H39  SING  N  N  136  
RR2  C7   C8   SING  Y  N  137  
RR2  C7   H40  SING  N  N  138  
RR2  C6   C7   DOUB  Y  N  139  
RR2  C6   H41  SING  N  N  140  
RR2  N5   C4B  DOUB  Y  N  141  
RR2  N5   C6   SING  Y  N  142  
RR2  C31  C32  DOUB  Y  N  143  
RR2  C31  C30  SING  Y  N  144  
RR2  C30  C9C  DOUB  Y  N  145  
RR2  C30  H42  SING  N  N  146  
RR2  C32  C33  SING  Y  N  147  
RR2  C32  H43  SING  N  N  148  
RR2  C33  C9D  DOUB  Y  N  149  
RR2  C33  H44  SING  N  N  150  
RR2  C9D  N    SING  Y  N  151  
RR2  C9C  C9D  SING  Y  N  152  
RR2  C9C  N29  SING  Y  N  153  
RR2  N29  C8F  DOUB  Y  N  154  
RR2  N    C8G  DOUB  Y  N  155  
RR2  C8G  C8H  SING  Y  N  156  
RR2  C8H  C21  DOUB  Y  N  157  
RR2  C8H  C4C  SING  Y  N  158  
RR2  C4C  N24  DOUB  Y  N  159  
RR2  N24  C23  SING  Y  N  160  
RR2  N24  RU1  SING  N  N  161  
RR2  C23  H45  SING  N  N  162  
RR2  C22  C23  DOUB  Y  N  163  
RR2  C22  H46  SING  N  N  164  
RR2  C21  C22  SING  Y  N  165  
RR2  C21  H47  SING  N  N  166  
RR2  C8F  C8G  SING  Y  N  167  
RR2  C8F  C8E  SING  Y  N  168  
RR2  C8E  C4D  SING  Y  N  169  
RR2  C4D  C4C  SING  Y  N  170  
RR2  C4D  N25  DOUB  Y  N  171  
RR2  C28  C8E  DOUB  Y  N  172  
RR2  C28  C27  SING  Y  N  173  
RR2  C28  H48  SING  N  N  174  
RR2  C27  C26  DOUB  Y  N  175  
RR2  C26  N25  SING  Y  N  176  
RR2  N25  RU1  SING  N  N  177  
RR2  C27  H49  SING  N  N  178  
RR2  C26  H50  SING  N  N  179  
#   #
loop_
_pdbx_chem_comp_descriptor.comp_id
_pdbx_chem_comp_descriptor.type
_pdbx_chem_comp_descriptor.program
_pdbx_chem_comp_descriptor.program_version
_pdbx_chem_comp_descriptor.descriptor
RR2  SMILES            ACDLabs               12.01  "n2c%14cc(ccc%14nc3c%13c%12c1n(cccc1c23)[Ru]%117(n6cccc5ccc4cccn7c4c56)(n9c8c%10c(ccc8ccc9)cccn%10%11)n%12ccc%13)c%16ccc%15nc%17c%20c%19c%18c(c%17nc%15c%16)cccn%18[Ru]%24%28(n%19ccc%20)(n%22c%21c%23c(ccc%21ccc%22)cccn%23%24)n%26cccc%25ccc%27c(c%25%26)n%28ccc%27"  
RR2  InChI             InChI                 1.03   "InChI=1S/C36H18N8.4C12H8N2.2Ru/c1-5-21-29(37-13-1)31-23(7-3-15-39-31)35-33(21)41-25-11-9-19(17-27(25)43-35)20-10-12-26-28(18-20)44-36-24-8-4-16-40-32(24)30-22(34(36)42-26)6-2-14-38-30;4*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;;/h1-18H;4*1-8H;;"  
RR2  InChIKey          InChI                 1.03   BGOYAVNVNFHEQU-UHFFFAOYSA-N  
RR2  SMILES_CANONICAL  CACTVS                3.370  "[Ru]|1|2|3(|n4cccc5ccc6cccn|1c6c45)(|n7cccc8ccc9cccn|2c9c78)|n%10cccc%11c%10c%12n|3cccc%12c%13nc%14cc(ccc%14nc%11%13)c%15ccc%16nc%17c%18cccn%19|[Ru]|%20|%21(|n%22cccc%23ccc%24cccn|%20c%24c%22%23)(|n%25cccc%26ccc%27cccn|%21c%27c%25%26)|n%28cccc(c%28c%18%19)c%17nc%16c%15"  
RR2  SMILES            CACTVS                3.370  "[Ru]|1|2|3(|n4cccc5ccc6cccn|1c6c45)(|n7cccc8ccc9cccn|2c9c78)|n%10cccc%11c%10c%12n|3cccc%12c%13nc%14cc(ccc%14nc%11%13)c%15ccc%16nc%17c%18cccn%19|[Ru]|%20|%21(|n%22cccc%23ccc%24cccn|%20c%24c%22%23)(|n%25cccc%26ccc%27cccn|%21c%27c%25%26)|n%28cccc(c%28c%18%19)c%17nc%16c%15"  
RR2  SMILES_CANONICAL  "OpenEye OEToolkits"  1.7.6  "c1cc2c(cc1c3ccc4c(c3)nc5c(n4)C6=CC=C[N]7=C6C8=[N]([Ru]791([N]3=CC=Cc4c3c3c(cc4)C=CC=[N]93)[N]3=CC=Cc4c3c3c(cc4)C=CC=[N]13)C=CC=C58)nc1c(n2)C2=CC=C[N]3=C2C2=[N]([Ru]334([N]5=CC=Cc6c5c5c(cc6)C=CC=[N]35)[N]3=CC=Cc5c3c3c(cc5)C=CC=[N]43)C=CC=C12"  
RR2  SMILES            "OpenEye OEToolkits"  1.7.6  "c1cc2c(cc1c3ccc4c(c3)nc5c(n4)C6=CC=C[N]7=C6C8=[N]([Ru]791([N]3=CC=Cc4c3c3c(cc4)C=CC=[N]93)[N]3=CC=Cc4c3c3c(cc4)C=CC=[N]13)C=CC=C58)nc1c(n2)C2=CC=C[N]3=C2C2=[N]([Ru]334([N]5=CC=Cc6c5c5c(cc6)C=CC=[N]35)[N]3=CC=Cc5c3c3c(cc5)C=CC=[N]43)C=CC=C12"  
#
_pdbx_chem_comp_identifier.comp_id          RR2
_pdbx_chem_comp_identifier.type             "SYSTEMATIC NAME"
_pdbx_chem_comp_identifier.program          ACDLabs
_pdbx_chem_comp_identifier.program_version  12.01
_pdbx_chem_comp_identifier.identifier       "(mu-11,11'-bidipyrido[3,2-a:2',3'-c]phenazine-1kappa~2~N~4~,N~5~:2kappa~2~N~4'~,N~5'~)[tetrakis(1,10-phenanthroline-kappa~2~N~1~,N~10~)]diruthenium"
#   #
loop_
_pdbx_chem_comp_audit.comp_id
_pdbx_chem_comp_audit.action_type
_pdbx_chem_comp_audit.date
_pdbx_chem_comp_audit.processing_site
RR2  "Create component"  2012-10-05  RCSB  
RR2  "Initial release"   2014-03-05  RCSB  
##
