data_A9J
# 
_chem_comp.id                                    A9J 
_chem_comp.name                                  "Hexafluorophosphate anion" 
_chem_comp.type                                  NON-POLYMER 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "F6 P" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         ? 
_chem_comp.pdbx_formal_charge                    -1 
_chem_comp.pdbx_initial_date                     2017-07-13 
_chem_comp.pdbx_modified_date                    2018-05-25 
_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                        144.964 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     A9J 
_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   N 
_chem_comp.pdbx_model_coordinates_db_code        5W8B 
_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 
A9J P1 P1 P 0 1 N N N -6.354 1.937 17.429 0.000  0.000  0.000  P1 A9J 1 
A9J F1 F1 F 0 1 N N N -7.881 1.493 17.665 0.964  -1.239 -0.570 F1 A9J 2 
A9J F2 F2 F 0 1 N N N -4.791 2.243 17.187 -0.964 1.239  0.570  F2 A9J 3 
A9J F3 F3 F 0 1 N N N -6.428 1.361 15.916 -0.964 -0.126 -1.358 F3 A9J 4 
A9J F4 F4 F 0 1 N N N -6.286 2.477 18.950 0.964  0.126  1.358  F4 A9J 5 
A9J F5 F5 F 0 1 N N N -6.850 3.386 16.962 -0.964 -1.113 0.788  F5 A9J 6 
A9J F6 F6 F 0 1 N N N -5.865 0.530 18.005 0.964  1.113  -0.788 F6 A9J 7 
# 
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 
A9J F3 P1 SING N N 1 
A9J F5 P1 SING N N 2 
A9J F2 P1 SING N N 3 
A9J P1 F1 SING N N 4 
A9J P1 F6 SING N N 5 
A9J P1 F4 SING N N 6 
# 
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 
A9J InChI            InChI                1.03  "InChI=1S/F6P/c1-7(2,3,4,5)6" 
A9J InChIKey         InChI                1.03  WBPJDOUFWQVMRN-UHFFFAOYSA-N   
A9J SMILES_CANONICAL CACTVS               3.385 "F[P](F)(F)(F)(F)F"           
A9J SMILES           CACTVS               3.385 "F[P](F)(F)(F)(F)F"           
A9J SMILES_CANONICAL "OpenEye OEToolkits" 2.0.6 "FP(F)(F)(F)(F)F"             
A9J SMILES           "OpenEye OEToolkits" 2.0.6 "FP(F)(F)(F)(F)F"             
# 
loop_
_pdbx_chem_comp_audit.comp_id 
_pdbx_chem_comp_audit.action_type 
_pdbx_chem_comp_audit.date 
_pdbx_chem_comp_audit.processing_site 
A9J "Create component" 2017-07-13 RCSB 
A9J "Initial release"  2018-05-30 RCSB 
# 
