Information card for entry 4337234

Structure parameters

• Formula: C22 H30 N2 O12 Pt S2
• Calculated formula: C22 H30 N2 O12 Pt S2
• SMILES: [Pt]1([n]2c(c3[n]1cccc3)cccc2)(S[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)CO)S[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)CO.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: 15.0673 ± 0.0004 Å
• b: 5.2744 ± 0.0002 Å
• c: 17.5437 ± 0.0005 Å
• α: 90°
• β: 108.902 ± 0.001°
• γ: 90°
• Cell volume: 1319.03 ± 0.07 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: 0.0509
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for significantly intense reflections: 0.0689
• Weighted residual factors for all reflections included in the refinement: 0.0821
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No