Information card for entry 7202060

Structure parameters

• Formula: C40 H38 N8 O8 Pt S4
• Calculated formula: C40 H38 N8 O8 Pt S4
• SMILES: C1NC(N(C=1)C)=[S][Pt]([S]=C1NC=CN1C)([S]=C1NC=CN1C)[S]=C1NC=CN1C.C(=O)(O)c1c2ccccc2c(cc1)C(=O)[O-].C(=O)(O)c1c2ccccc2c(cc1)C(=O)[O-]
• Title of publication: Hydrogen bonded networks in N‒alkyl substituted thiourea platinum (II) oxocarbodianion and carboxylate salts
• Authors of publication: Fisher, Matthew G.; Gale, Philip A.; Light, Mark E.; Quesada, Roberto
• Journal of publication: CrystEngComm
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 9
• Pages of publication: 1180
• a: 9.558 ± 0.0002 Å
• b: 9.934 ± 0.0002 Å
• c: 11.159 ± 0.0002 Å
• α: 80.721 ± 0.001°
• β: 78.108 ± 0.001°
• γ: 86.762 ± 0.001°
• Cell volume: 1022.93 ± 0.04 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0338
• Residual factor for significantly intense reflections: 0.0277
• Weighted residual factors for significantly intense reflections: 0.0571
• Weighted residual factors for all reflections included in the refinement: 0.0588
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No