Information card for entry 4337235

Structure parameters

• Formula: C24 H34 N2 O13 Pt S2
• Calculated formula: C24 H34 N2 O13 Pt S2
• SMILES: [Pt]1([n]2c(c3[n]1ccc(c3)C)cc(cc2)C)(S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)S[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)CO.O.O.O
• Title of publication: Water-Molecule-Driven Vapochromic Behavior of a Mononuclear Platinum(II) System with Mixed Bipyridine and Thioglucose.
• Authors of publication: Kitani, Naoki; Kuwamura, Naoto; Tsuji, Takaaki; Tsuge, Kiyoshi; Konno, Takumi
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 4
• Pages of publication: 1949 - 1951
• a: 11.3655 ± 0.0006 Å
• b: 6.6148 ± 0.0003 Å
• c: 19.1243 ± 0.0008 Å
• α: 90°
• β: 94.696 ± 0.001°
• γ: 90°
• Cell volume: 1432.95 ± 0.12 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0365
• Residual factor for significantly intense reflections: 0.0318
• Weighted residual factors for significantly intense reflections: 0.0625
• Weighted residual factors for all reflections included in the refinement: 0.0667
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No