Information card for entry 4516464

Structure parameters

• Formula: C34 H46 Mn2 O16 Sn4
• Calculated formula: C34 H46 Mn2 O16 Sn4
• SMILES: C[Sn]12(C)[O]([Sn]3([O]1[Sn]([O]3C)(OC(=O)CCC(=O)[c]13[cH]4[cH]5[cH]6[cH]1[Mn]3456(C#[O])(C#[O])C#[O])(C)C)(C)C)[Sn]([O]2C)(OC(=O)CCC(=O)[c]12[cH]3[cH]4[cH]5[cH]1[Mn]2345(C#[O])(C#[O])C#[O])(C)C
• 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: 7.073 ± 0.005 Å
• b: 10.244 ± 0.005 Å
• c: 16.376 ± 0.005 Å
• α: 98.435 ± 0.005°
• β: 91.365 ± 0.005°
• γ: 93.543 ± 0.005°
• Cell volume: 1170.8 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0484
• Residual factor for significantly intense reflections: 0.0293
• Weighted residual factors for significantly intense reflections: 0.0613
• Weighted residual factors for all reflections included in the refinement: 0.0676
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No