Information card for entry 4066464

Structure parameters

• Formula: C14 H48 B16 P2 Rh2
• Calculated formula: C14 H48 B16 P2 Rh2
• SMILES: [Rh]1234567([BH]89%10[CH]%11%12[BH]%1319[BH]19%12[BH]%12%10%11[BH]%10%119[B]92%131([H][Rh]12%13%149([BH]9%15%16[CH]%17%18[BH]%191%15[BH]1%15%17[BH]%179%18[BH]9%18%15[B]62%191([H]7)[BH]5%13%18[BH]%14%16%179)[P](CC)(CC)CC)[BH]4%11[BH]38%12%10)[P](CC)(CC)CC
• Title of publication: Two Metal−Monocarbollide Relatives of the {B20H18} Double-Cluster Boranes†
• Authors of publication: Franken, Andreas; McGrath, Thomas D.; Stone, F. Gordon A.
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 21
• Pages of publication: 4790
• a: 10.777 ± 0.002 Å
• b: 12.169 ± 0.002 Å
• c: 13.447 ± 0.003 Å
• α: 66.678 ± 0.007°
• β: 67.893 ± 0.007°
• γ: 74.935 ± 0.007°
• Cell volume: 1487.6 ± 0.5 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 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: 0.0217
• Residual factor for significantly intense reflections: 0.0191
• Weighted residual factors for significantly intense reflections: 0.0467
• Weighted residual factors for all reflections included in the refinement: 0.0487
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No