data_MF4
#

_chem_comp.id                                   MF4
_chem_comp.name                                 "TETRAFLUOROMAGNESATE(2-)"
_chem_comp.type                                 NON-POLYMER
_chem_comp.pdbx_type                            HETAIN
_chem_comp.formula                              "F4 Mg"
_chem_comp.mon_nstd_parent_comp_id              ?
_chem_comp.pdbx_synonyms                        MAGNESIUMTETRAFLUORIDE
_chem_comp.pdbx_formal_charge                   -2
_chem_comp.pdbx_initial_date                    2004-09-05
_chem_comp.pdbx_modified_date                   2021-03-01
_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                       100.299
_chem_comp.one_letter_code                      ?
_chem_comp.three_letter_code                    MF4
_chem_comp.pdbx_model_coordinates_details       ?
_chem_comp.pdbx_model_coordinates_missing_flag  N
_chem_comp.pdbx_ideal_coordinates_details       ?
_chem_comp.pdbx_ideal_coordinates_missing_flag  N
_chem_comp.pdbx_model_coordinates_db_code       ?
_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
MF4  MG  MG  MG  -2  0  N  N  N  77.835  54.221  -10.590   0.000   0.000   0.000  MG  MF4  1  
MF4  F1  F1  F    0  1  N  N  N  77.808  53.421  -12.174   0.000  -1.462  -1.033  F1  MF4  2  
MF4  F2  F2  F    0  1  N  N  N  76.931  55.746  -10.693   0.000   1.462  -1.033  F2  MF4  3  
MF4  F3  F3  F    0  1  N  N  N  79.500  54.560  -10.116  -1.462   0.000   1.033  F3  MF4  4  
MF4  F4  F4  F    0  1  N  N  N  77.087  53.179   -9.376   1.462   0.000   1.033  F4  MF4  5  
#   #
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
MF4  MG  F1  SING  N  N  1  
MF4  MG  F2  SING  N  N  2  
MF4  MG  F3  SING  N  N  3  
MF4  MG  F4  SING  N  N  4  
#   #
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
MF4  SMILES            ACDLabs               10.04  "F[Mg-2](F)(F)F"  
MF4  SMILES_CANONICAL  CACTVS                3.341  "F[Mg--](F)(F)F"  
MF4  SMILES            CACTVS                3.341  "F[Mg--](F)(F)F"  
MF4  SMILES_CANONICAL  "OpenEye OEToolkits"  1.5.0  "F[Mg-2](F)(F)F"  
MF4  SMILES            "OpenEye OEToolkits"  1.5.0  "F[Mg-2](F)(F)F"  
MF4  InChI             InChI                 1.03   "InChI=1S/4FH.Mg/h4*1H;/q;;;;+2/p-4"  
MF4  InChIKey          InChI                 1.03   XVYWAXYEHHUKQW-UHFFFAOYSA-J  
#   #
loop_
_pdbx_chem_comp_identifier.comp_id
_pdbx_chem_comp_identifier.type
_pdbx_chem_comp_identifier.program
_pdbx_chem_comp_identifier.program_version
_pdbx_chem_comp_identifier.identifier
MF4  "SYSTEMATIC NAME"  ACDLabs               10.04  "tetrafluoromagnesate(2-)"  
MF4  "SYSTEMATIC NAME"  "OpenEye OEToolkits"  1.5.0  tetrafluoromagnesium  
#   #
loop_
_pdbx_chem_comp_audit.comp_id
_pdbx_chem_comp_audit.action_type
_pdbx_chem_comp_audit.date
_pdbx_chem_comp_audit.processing_site
MF4  "Create component"   2004-09-05  RCSB  
MF4  "Modify descriptor"  2011-06-04  RCSB  
MF4  "Modify synonyms"    2021-03-01  PDBE  
#
_pdbx_chem_comp_synonyms.ordinal     1
_pdbx_chem_comp_synonyms.comp_id     MF4
_pdbx_chem_comp_synonyms.name        MAGNESIUMTETRAFLUORIDE
_pdbx_chem_comp_synonyms.provenance  ?
_pdbx_chem_comp_synonyms.type        ?
##
