Information card for entry 4516462

Structure parameters

• Formula: C48 H40 Cr O9 Sn2
• Calculated formula: C48 H40 Cr O9 Sn2
• SMILES: [Sn]([OH]C)(OC(=O)[c]12[Cr]3456([c]([cH]4[cH]26)(C(=O)O[Sn]([OH2])(c2ccccc2)(c2ccccc2)c2ccccc2)[cH]5[cH]13)(C#[O])(C#[O])C#[O])(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: η6-Benzene(tricarbonyl)chromium and Cymantrene Assemblies Supported on an Organostannoxane Platform
• Authors of publication: Kundu, Subrata; Chandrasekhar, Vadapalli
• Journal of publication: Crystal Growth & Design
• Year of publication: 2015
• Journal volume: 15
• Journal issue: 11
• Pages of publication: 5437
• a: 13.193 ± 0.005 Å
• b: 18.567 ± 0.005 Å
• c: 18.021 ± 0.005 Å
• α: 90°
• β: 93.435 ± 0.005°
• γ: 90°
• Cell volume: 4406 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0385
• Residual factor for significantly intense reflections: 0.0274
• Weighted residual factors for significantly intense reflections: 0.0595
• Weighted residual factors for all reflections included in the refinement: 0.0633
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No