data_MGF
# 
_chem_comp.id                                    MGF 
_chem_comp.name                                  TRIFLUOROMAGNESATE 
_chem_comp.type                                  NON-POLYMER 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "F3 Mg" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         ? 
_chem_comp.pdbx_formal_charge                    -1 
_chem_comp.pdbx_initial_date                     2003-04-01 
_chem_comp.pdbx_modified_date                    2008-10-14 
_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                        81.300 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     MGF 
_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 
MGF F1 F1 F  0  1 N N N 23.488 0.965  5.415 -1.790 0.024  0.001  F1 MGF 1 
MGF MG MG MG -1 0 N N N 24.189 0.258  6.812 0.000  0.000  -0.002 MG MGF 2 
MGF F2 F2 F  0  1 N N N 25.202 -0.854 6.726 0.916  1.538  0.001  F2 MGF 3 
MGF F3 F3 F  0  1 N N N 23.790 1.013  8.099 0.874  -1.562 0.001  F3 MGF 4 
# 
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 
MGF F1 MG SING N N 1 
MGF MG F2 SING N N 2 
MGF MG F3 SING N N 3 
# 
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 
MGF SMILES           ACDLabs              10.04 F[Mg-](F)F                                                                
MGF InChI            InChI                1.02b InChI=1/3FH.Mg/h3*1H;/q;;;+2/p-3/f3F.Mg/h3*1h;/q3*-1;m/rF3Mg/c1-4(2)3/q-1 
MGF InChIKey         InChI                1.02b GJOMWUHGUQLOAC-NSOIZOKWCS                                                 
MGF SMILES_CANONICAL CACTVS               3.341 F[Mg-](F)F                                                                
MGF SMILES           CACTVS               3.341 F[Mg-](F)F                                                                
MGF SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 F[Mg-](F)F                                                                
MGF SMILES           "OpenEye OEToolkits" 1.5.0 F[Mg-](F)F                                                                
# 
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 
MGF "SYSTEMATIC NAME" ACDLabs              10.04 trifluoromagnesate(1-) 
MGF "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.5.0 trifluoromagnesium     
# 
