Information card for entry 4516457

Structure parameters

• Formula: C28 H28 Cr2 O10 Sn
• Calculated formula: C28 H28 Cr2 O10 Sn
• SMILES: [O]#C[Cr]12345([c]6([cH]5[cH]4[cH]3[cH]2[cH]16)C(=O)O[Sn](OC(=O)[c]12[Cr]3456([cH]1[cH]3[cH]4[cH]5[cH]26)(C#[O])(C#[O])C#[O])(CCCC)CCCC)(C#[O])C#[O]
• 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: 11.267 ± 0.005 Å
• b: 11.793 ± 0.005 Å
• c: 11.808 ± 0.005 Å
• α: 98.599 ± 0.005°
• β: 108.484 ± 0.005°
• γ: 93.685 ± 0.005°
• Cell volume: 1460.8 ± 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: 0.0956
• Residual factor for significantly intense reflections: 0.0644
• Weighted residual factors for significantly intense reflections: 0.1476
• Weighted residual factors for all reflections included in the refinement: 0.1663
• Goodness-of-fit parameter for all reflections included in the refinement: 0.981
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No