data_3G0 # _chem_comp.id 3G0 _chem_comp.name "tetracyanoplatinate(II)" _chem_comp.type NON-POLYMER _chem_comp.pdbx_type HETAIN _chem_comp.formula "C4 N4 Pt" _chem_comp.mon_nstd_parent_comp_id ? _chem_comp.pdbx_synonyms "[Pt(CN)4]2-" _chem_comp.pdbx_formal_charge -2 _chem_comp.pdbx_initial_date 2014-08-12 _chem_comp.pdbx_modified_date 2020-06-17 _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 299.148 _chem_comp.one_letter_code ? _chem_comp.three_letter_code 3G0 _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 4QZQ _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 3G0 C1 C1 C 0 1 N N N 323.929 182.733 51.387 1.755 -0.000 1.241 C1 3G0 1 3G0 N1 N1 N 0 1 N N N 325.019 182.873 51.707 2.683 -0.000 1.897 N1 3G0 2 3G0 C2 C2 C 0 1 N N N 321.934 184.402 50.961 0.000 -1.755 -1.241 C2 3G0 3 3G0 PT PT PT -2 0 N N N 322.141 182.555 50.889 -0.000 -0.000 0.000 PT 3G0 4 3G0 N2 N2 N 0 1 N N N 321.799 185.531 51.065 0.000 -2.683 -1.897 N2 3G0 5 3G0 C3 C3 C 0 1 N N N 320.440 182.417 50.112 -1.755 0.000 1.241 C3 3G0 6 3G0 N3 N3 N 0 1 N N N 319.413 182.277 49.609 -2.683 0.000 1.897 N3 3G0 7 3G0 C4 C4 C 0 1 N N N 322.231 180.689 51.030 0.000 1.755 -1.241 C4 3G0 8 3G0 N4 N4 N 0 1 N N N 322.294 179.542 51.130 0.000 2.683 -1.897 N4 3G0 9 # # 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 3G0 N3 C3 TRIP N N 1 3G0 C3 PT SING N N 2 3G0 PT C2 SING N N 3 3G0 PT C4 SING N N 4 3G0 PT C1 SING N N 5 3G0 C2 N2 TRIP N N 6 3G0 C4 N4 TRIP N N 7 3G0 C1 N1 TRIP N N 8 # # 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 3G0 SMILES ACDLabs 12.01 "N#C[Pt-2](C#N)(C#N)C#N" 3G0 InChI InChI 1.03 "InChI=1S/4CN.Pt/c4*1-2;/q;;;;-2" 3G0 InChIKey InChI 1.03 YGIVBGPIGPIOSX-UHFFFAOYSA-N 3G0 SMILES_CANONICAL CACTVS 3.385 "N#C[Pt--](C#N)(C#N)C#N" 3G0 SMILES CACTVS 3.385 "N#C[Pt--](C#N)(C#N)C#N" 3G0 SMILES_CANONICAL "OpenEye OEToolkits" 1.7.6 "C(#N)[Pt-2](C#N)(C#N)C#N" 3G0 SMILES "OpenEye OEToolkits" 1.7.6 "C(#N)[Pt-2](C#N)(C#N)C#N" # # 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 3G0 "SYSTEMATIC NAME" ACDLabs 12.01 "tetrakis(cyano-kappaC)platinate(2-)" 3G0 "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.7.6 "tetracyanoplatinum(2-)" # # loop_ _pdbx_chem_comp_audit.comp_id _pdbx_chem_comp_audit.action_type _pdbx_chem_comp_audit.date _pdbx_chem_comp_audit.processing_site 3G0 "Create component" 2014-08-12 RCSB 3G0 "Initial release" 2019-07-10 RCSB 3G0 "Modify synonyms" 2020-06-05 PDBE # _pdbx_chem_comp_synonyms.ordinal 1 _pdbx_chem_comp_synonyms.comp_id 3G0 _pdbx_chem_comp_synonyms.name "[Pt(CN)4]2-" _pdbx_chem_comp_synonyms.provenance ? _pdbx_chem_comp_synonyms.type ? ##