Information card for entry 4516463

Structure parameters

• Formula: C44 H40 Mn4 O22 Sn4
• Calculated formula: C44 H40 Mn4 O22 Sn4
• SMILES: C(=O)([c]12[cH]3[cH]4[Mn]513(C#[O])([cH]2[cH]45)(C#[O])C#[O])O[Sn]1(OC(=[O][Sn]2([O]1[Sn]1(OC(=[O][Sn](OC(=O)[c]34[cH]5[cH]6[cH]7[cH]3[Mn]4567(C#[O])(C#[O])C#[O])([O]21)(C)C)[c]12[cH]3[cH]4[cH]5[cH]1[Mn]2345(C#[O])(C#[O])C#[O])(C)C)(C)C)[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: 9.836 ± 0.005 Å
• b: 10.743 ± 0.005 Å
• c: 14.063 ± 0.005 Å
• α: 109.941 ± 0.005°
• β: 100.146 ± 0.005°
• γ: 96.279 ± 0.005°
• Cell volume: 1351.8 ± 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: 0.0267
• Residual factor for significantly intense reflections: 0.0224
• Weighted residual factors for significantly intense reflections: 0.0525
• Weighted residual factors for all reflections included in the refinement: 0.054
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No