Information card for entry 2008050

Structure parameters

• Chemical name: A complex of 4,4,8,8-tetrakis(1-pyrazolyl)pyrazabole and diphenyltin(IV) dichloride monohydrate
• Formula: C30 H30 B2 Cl2 N12 O Sn
• Calculated formula: C30 H30 B2 Cl2 N12 O Sn
• SMILES: [Sn](Cl)(Cl)([OH2])(c1ccccc1)c1ccccc1.n1n(ccc1)[B]1(n2nccc2)n2cccn2[B](n2nccc2)(n2nccc2)n2n1ccc2
• Title of publication: An adduct of aquadichlorodiphenyltin(IV) and 4,4,8,8-tetrakis(1-pyrazolyl)pyrazabole
• Authors of publication: Dey, Dilip Kumar; Das, Mrinal Kanti; Chinnakali, Kandasamy; Fun, Hoong-Kun; Razak, Ibrahim Abdul
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 1
• Pages of publication: 20 - 22
• a: 23.93 ± 0.002 Å
• b: 12.5245 ± 0.0011 Å
• c: 11.903 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3567.5 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.068
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for all reflections: 0.088
• Weighted residual factors for significantly intense reflections: 0.081
• Goodness-of-fit parameter for all reflections: 0.887
• Goodness-of-fit parameter for significantly intense reflections: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No