Information card for entry 4335128

Structure parameters

• Formula: C20 H40 B10 O2 Rh2
• Calculated formula: C20 H40 B10 O2 Rh2
• SMILES: [B]123(O)[Rh]456789%10%11([c]%12([c]4([c]5([c]6([c]%10%12C)C)C)C)C)[B]45([BH]6%107[BH]7%124[BH]4%136[BH]6%14%15[BH]18([BH]126[BH]7%13%15[Rh]26783%115%121[c]1([c]2([c]6([c]7([c]81C)C)C)C)C)[BH]9%104%14)O
• 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: 19.855 ± 0.004 Å
• b: 9.4556 ± 0.0015 Å
• c: 14.515 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2725.1 ± 0.8 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 36
• Hermann-Mauguin space group symbol: C m c 21
• Hall space group symbol: C 2c -2
• Residual factor for all reflections: 0.1567
• Residual factor for significantly intense reflections: 0.0809
• Weighted residual factors for significantly intense reflections: 0.1623
• Weighted residual factors for all reflections included in the refinement: 0.1961
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No