data_ZPT
#

_chem_comp.id                                   ZPT
_chem_comp.name                                 "Trichloro(ethene)platinate(II)"
_chem_comp.type                                 NON-POLYMER
_chem_comp.pdbx_type                            HETAIN
_chem_comp.formula                              "C2 H4 Cl3 Pt"
_chem_comp.mon_nstd_parent_comp_id              ?
_chem_comp.pdbx_synonyms                        "Zeise's salt"
_chem_comp.pdbx_formal_charge                   -1
_chem_comp.pdbx_initial_date                    2016-07-13
_chem_comp.pdbx_modified_date                   2020-06-17
_chem_comp.pdbx_ambiguous_flag                  Y
_chem_comp.pdbx_release_status                  REL
_chem_comp.pdbx_replaced_by                     ?
_chem_comp.pdbx_replaces                        ?
_chem_comp.formula_weight                       329.490
_chem_comp.one_letter_code                      ?
_chem_comp.three_letter_code                    ZPT
_chem_comp.pdbx_model_coordinates_details       ?
_chem_comp.pdbx_model_coordinates_missing_flag  Y
_chem_comp.pdbx_ideal_coordinates_details       Corina
_chem_comp.pdbx_ideal_coordinates_missing_flag  Y
_chem_comp.pdbx_model_coordinates_db_code       5K08
_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
ZPT  PT   PT   PT   2  0  N  N  N  ?  ?  ?  ?  ?  ?  PT   ZPT   1  
ZPT  C1   C1   C    0  1  N  Y  N  ?  ?  ?  ?  ?  ?  C1   ZPT   2  
ZPT  C2   C2   C    0  1  N  Y  N  ?  ?  ?  ?  ?  ?  C2   ZPT   3  
ZPT  CL1  CL1  CL  -1  0  N  Y  N  ?  ?  ?  ?  ?  ?  CL1  ZPT   4  
ZPT  CL2  CL2  CL  -1  0  N  Y  N  ?  ?  ?  ?  ?  ?  CL2  ZPT   5  
ZPT  CL3  CL3  CL  -1  0  N  Y  N  ?  ?  ?  ?  ?  ?  CL3  ZPT   6  
ZPT  H11  H11  H    0  1  N  Y  N  ?  ?  ?  ?  ?  ?  H11  ZPT   7  
ZPT  H12  H12  H    0  1  N  Y  N  ?  ?  ?  ?  ?  ?  H12  ZPT   8  
ZPT  H21  H21  H    0  1  N  Y  N  ?  ?  ?  ?  ?  ?  H21  ZPT   9  
ZPT  H22  H22  H    0  1  N  Y  N  ?  ?  ?  ?  ?  ?  H22  ZPT  10  
#   #
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
ZPT  PT  C1   SING  N  N   1  
ZPT  PT  C2   SING  N  N   2  
ZPT  PT  CL1  SING  N  N   3  
ZPT  PT  CL2  SING  N  N   4  
ZPT  PT  CL3  SING  N  N   5  
ZPT  C1  C2   DOUB  N  N   6  
ZPT  C1  H11  SING  N  N   7  
ZPT  C1  H12  SING  N  N   8  
ZPT  C2  H21  SING  N  N   9  
ZPT  C2  H22  SING  N  N  10  
#   #
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
ZPT  InChI             InChI                 1.03   "InChI=1S/C2H4.3ClH.Pt/c1-2;;;;/h1-2H2;3*1H;/q;;;;+2/p-3"  
ZPT  InChIKey          InChI                 1.03   LJEKXYSRMGLQBW-UHFFFAOYSA-K  
ZPT  SMILES_CANONICAL  CACTVS                3.385  "[Cl-]|[Pt++]|1(|[Cl-])(|[Cl-])|C=C|1"  
ZPT  SMILES            CACTVS                3.385  "[Cl-]|[Pt++]|1(|[Cl-])(|[Cl-])|C=C|1"  
ZPT  SMILES_CANONICAL  "OpenEye OEToolkits"  1.7.6  "[CH2]1=[CH2][Pt+2]1([Cl-])([Cl-])[Cl-]"  
ZPT  SMILES            "OpenEye OEToolkits"  1.7.6  "[CH2]1=[CH2][Pt+2]1([Cl-])([Cl-])[Cl-]"  
#   #
loop_
_pdbx_chem_comp_audit.comp_id
_pdbx_chem_comp_audit.action_type
_pdbx_chem_comp_audit.date
_pdbx_chem_comp_audit.processing_site
ZPT  "Create component"  2016-07-13  RCSB  
ZPT  "Initial release"   2016-09-21  RCSB  
ZPT  "Modify synonyms"   2020-06-05  PDBE  
#
_pdbx_chem_comp_synonyms.ordinal     1
_pdbx_chem_comp_synonyms.comp_id     ZPT
_pdbx_chem_comp_synonyms.name        "Zeise's salt"
_pdbx_chem_comp_synonyms.provenance  ?
_pdbx_chem_comp_synonyms.type        ?
##