Information card for entry 7203208

Structure parameters

• Formula: C38 H96 Cl2 N24 O16 Pt3 S18
• Calculated formula: C38 H96 Cl2 N24 O16 Pt3 S18
• SMILES: C(N)(N)=[S][Pt]([S]=C(N)N)([S]=C(N)N)[S]=C(N)N.O=C1C([O-])=C([O-])C1=O.O=S(C)C.O=S(C)C.O=C(C)C.S(C)(C)=O.[Cl-].[Pt]([S]=C(N)N)([S]=C(N)N)([S]=C(N)N)[S]=C(N)N.C(N)(N)=[S][Pt]([S]=C(N)N)([S]=C(N)N)[S]=C(N)N.C1([O-])=C([O-])C(=O)C1=O.O=S(C)C.O=S(C)C.O=S(C)C.O=C(C)C.[Cl-]
• Title of publication: Tetrakis(thiourea)platinum(ii) oxocarbodianions salts as molecular building blocks for the synthesis of hydrogen bonded networks in the solid state
• Authors of publication: Gale, Philip A.; Light, Mark E.; Quesada, Roberto
• Journal of publication: CrystEngComm
• Year of publication: 2006
• Journal volume: 8
• Journal issue: 2
• Pages of publication: 178
• a: 21.1828 ± 0.0016 Å
• b: 14.1183 ± 0.0013 Å
• c: 14.4599 ± 0.0014 Å
• α: 90°
• β: 99.579 ± 0.006°
• γ: 90°
• Cell volume: 4264.2 ± 0.7 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0655
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for significantly intense reflections: 0.0694
• Weighted residual factors for all reflections included in the refinement: 0.0773
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No