Information card for entry 1564113

Structure parameters

• Formula: C10 H16 B4 Mn2 O7
• Calculated formula: C10 H16 B4 Mn2 O7
• SMILES: [Mn]1234(C#[O])(C#[O])(C#[O])[BH]56([BH]78([Mn]9%10(C#[O])(C#[O])([BH]1([B]2579[O]1CCCC1)([H]%10)[H]3)(C#[O])[H]8)[H]6)[H]4
• Title of publication: Chemistry of bimetallic hexaborane(10) analogues: A combined experimental and theoretical study
• Authors of publication: Prakash, Rini; Nanda Pradhan, Alaka; Ghosh, Sundargopal
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2020
• Journal volume: 512
• Pages of publication: 119898
• a: 6.9948 ± 0.0003 Å
• b: 12.8459 ± 0.0006 Å
• c: 19.5395 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1755.71 ± 0.14 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0679
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.0674
• Weighted residual factors for all reflections included in the refinement: 0.0781
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No