data_OHX # _chem_comp.id OHX _chem_comp.name "osmium (III) hexammine" _chem_comp.type NON-POLYMER _chem_comp.pdbx_type HETAIN _chem_comp.formula "H12 N6 Os" _chem_comp.mon_nstd_parent_comp_id ? _chem_comp.pdbx_synonyms "osmium(6+) hexaazanide" _chem_comp.pdbx_formal_charge 0 _chem_comp.pdbx_initial_date 2010-11-30 _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 286.365 _chem_comp.one_letter_code ? _chem_comp.three_letter_code OHX _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 3O2Z _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 OHX OS OS OS 0 0 N N N 74.130 -4.476 29.666 0.001 0.004 0.004 OS OHX 1 OHX N1 N1 N 0 1 N N N 75.095 -3.326 28.663 -0.901 1.806 0.559 N1 OHX 2 OHX N2 N2 N 0 1 N N N 73.722 -5.298 28.119 1.284 1.041 -1.279 N2 OHX 3 OHX N3 N3 N 0 1 N N N 74.504 -3.657 31.241 -1.282 -1.033 1.287 N3 OHX 4 OHX N4 N4 N 0 1 N N N 75.513 -5.614 29.839 1.382 0.216 1.558 N4 OHX 5 OHX N5 N5 N 0 1 N N N 72.720 -3.379 29.418 -1.381 -0.209 -1.550 N5 OHX 6 OHX N6 N6 N 0 1 N N N 73.216 -5.659 30.665 0.902 -1.798 -0.551 N6 OHX 7 OHX HN1 HN1 H 0 1 N N N 75.521 -2.642 29.256 -0.608 2.558 -0.046 HN1 OHX 8 OHX HN1A HN1A H 0 0 N N N 75.805 -3.829 28.170 -1.906 1.719 0.569 HN1A OHX 9 OHX HN2 HN2 H 0 1 N N N 73.127 -6.081 28.304 1.227 2.036 -1.121 HN2 OHX 10 OHX HN2A HN2A H 0 0 N N N 73.250 -4.656 27.515 2.234 0.714 -1.182 HN2A OHX 11 OHX HN3 HN3 H 0 1 N N N 75.427 -3.273 31.207 -2.232 -0.706 1.190 HN3 OHX 12 OHX HN3A HN3A H 0 0 N N N 73.843 -2.923 31.400 -1.225 -2.029 1.129 HN3A OHX 13 OHX HN4 HN4 H 0 1 N N N 76.007 -5.413 30.685 1.132 -0.362 2.346 HN4 OHX 14 OHX HN4A HN4A H 0 0 N N N 75.170 -6.553 29.868 2.318 0.009 1.241 HN4A OHX 15 OHX HN5 HN5 H 0 1 N N N 72.660 -2.735 30.181 -1.332 -1.132 -1.954 HN5 OHX 16 OHX HN5A HN5A H 0 0 N N N 72.838 -2.873 28.563 -2.316 -0.002 -1.233 HN5A OHX 17 OHX HN6 HN6 H 0 1 N N N 73.290 -5.409 31.630 0.558 -2.114 -1.446 HN6 OHX 18 OHX HN6A HN6A H 0 0 N N N 72.254 -5.653 30.392 1.908 -1.712 -0.561 HN6A OHX 19 # # 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 OHX N2 OS SING N N 1 OHX N1 OS SING N N 2 OHX N5 OS SING N N 3 OHX OS N4 SING N N 4 OHX OS N6 SING N N 5 OHX OS N3 SING N N 6 OHX N1 HN1 SING N N 7 OHX N1 HN1A SING N N 8 OHX N2 HN2 SING N N 9 OHX N2 HN2A SING N N 10 OHX N3 HN3 SING N N 11 OHX N3 HN3A SING N N 12 OHX N4 HN4 SING N N 13 OHX N4 HN4A SING N N 14 OHX N5 HN5 SING N N 15 OHX N5 HN5A SING N N 16 OHX N6 HN6 SING N N 17 OHX N6 HN6A SING N N 18 # # 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 OHX SMILES ACDLabs 12.01 "N[Os](N)(N)(N)(N)N" OHX SMILES_CANONICAL CACTVS 3.370 "N[Os](N)(N)(N)(N)N" OHX SMILES CACTVS 3.370 "N[Os](N)(N)(N)(N)N" OHX SMILES_CANONICAL "OpenEye OEToolkits" 1.7.0 "N[Os](N)(N)(N)(N)N" OHX SMILES "OpenEye OEToolkits" 1.7.0 "N[Os](N)(N)(N)(N)N" OHX InChI InChI 1.03 "InChI=1S/6H2N.Os/h6*1H2;/q6*-1;+6" OHX InChIKey InChI 1.03 OWCQTVJQFLTQTE-UHFFFAOYSA-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 OHX "SYSTEMATIC NAME" ACDLabs 12.01 "osmium(6+) hexaazanide" OHX "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.7.0 "hexakis(azanyl)osmium" # # loop_ _pdbx_chem_comp_audit.comp_id _pdbx_chem_comp_audit.action_type _pdbx_chem_comp_audit.date _pdbx_chem_comp_audit.processing_site OHX "Create component" 2010-11-30 RCSB OHX "Modify descriptor" 2011-06-04 RCSB OHX "Modify synonyms" 2021-03-01 PDBE # _pdbx_chem_comp_synonyms.ordinal 1 _pdbx_chem_comp_synonyms.comp_id OHX _pdbx_chem_comp_synonyms.name "osmium(6+) hexaazanide" _pdbx_chem_comp_synonyms.provenance ? _pdbx_chem_comp_synonyms.type ? ##