Information card for entry 4335130

Structure parameters

• Formula: C40 H66 B6 Rh4
• Calculated formula: C40 H66 B6 Rh4
• SMILES: [BH]123[BH]456[BH]789[BH]%10%11[Rh]%12%13%14%15158([c]1([c]%15([c]%14([c]%13([c]%121C)C)C)C)C)[Rh]158%12%13%143%11([BH]3%11[BH]47([Rh]47%15%169%10%133[c]3([c]%16([c]%15([c]7([c]43C)C)C)C)C)[Rh]347926%14%11[c]2([c]3([c]4([c]7([c]92C)C)C)C)C)[c]2([c]1([c]5([c]8([c]%122C)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: 9.9008 ± 0.0004 Å
• b: 11.2362 ± 0.0004 Å
• c: 19.4008 ± 0.0007 Å
• α: 90.027 ± 0.002°
• β: 92.599 ± 0.002°
• γ: 108.663 ± 0.002°
• Cell volume: 2042.44 ± 0.13 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0442
• Residual factor for significantly intense reflections: 0.0316
• Weighted residual factors for significantly intense reflections: 0.0795
• Weighted residual factors for all reflections included in the refinement: 0.0868
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No