Information card for entry 4335125

Structure parameters

• Formula: C20 H43 B13 Rh2
• Calculated formula: C20 H43 B13 Rh2
• SMILES: [c]12([c]3([c]4([c]5([c]1(C)[Rh]167892345[BH]234[BH]5%101[BH]1%116[BH]6%127[BH]7%138[BH]892[BH]29%13[BH]%13%14%127[BH]7%116[BH]651[BH]1%137[BH]59%14[BH]382[Rh]23784%10615[c]1([c]8([c]7([c]3([c]21C)C)C)C)C)C)C)C)C
• Title of publication: Supraicosahedral Polyhedra in Metallaboranes: Synthesis and Structural Characterization of 12-, 15-, and 16-Vertex Rhodaboranes
• Authors of publication: Dipak Kumar Roy; Bijan Mondal; Pritam Shankhari; R. S. Anju; K. Geetharani; Shaikh M. Mobin; Sundargopal Ghosh
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 6705 - 6712
• a: 12.0648 ± 0.0002 Å
• b: 16.269 ± 0.0003 Å
• c: 14.7494 ± 0.0003 Å
• α: 90°
• β: 100.717 ± 0.002°
• γ: 90°
• Cell volume: 2844.55 ± 0.09 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• 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: 0.0394
• Residual factor for significantly intense reflections: 0.0311
• Weighted residual factors for significantly intense reflections: 0.0733
• Weighted residual factors for all reflections included in the refinement: 0.0777
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No