Information card for entry 7202052

Structure parameters

• Formula: C18 H32 N8 O6 Pt S4
• Calculated formula: C18 H32 N8 O6 Pt S4
• SMILES: C(NC)(NC)=[S][Pt]([S]=C(NC)NC)([S]=C(NC)NC)[S]=C(NC)NC.C1([O-])=C([O-])C(=O)C(=O)C(=O)C1=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: 8.674 ± 0.005 Å
• b: 9.39 ± 0.005 Å
• c: 9.551 ± 0.005 Å
• α: 90.064 ± 0.005°
• β: 112.979 ± 0.005°
• γ: 104.68 ± 0.005°
• Cell volume: 688.4 ± 0.7 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: 0.0741
• Residual factor for significantly intense reflections: 0.0659
• Weighted residual factors for significantly intense reflections: 0.1563
• Weighted residual factors for all reflections included in the refinement: 0.1634
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No