Information card for entry 4066463

Structure parameters

• Formula: C18 H48 B8 N P2 Rh
• Calculated formula: C18 H48 B8 N P2 Rh
• SMILES: [Rh]1234([P](CC)(CC)CC)([P](CC)(CC)CC)(C#[N]C(C)(C)C)[BH]567[CH]89[BH]%1015[BH]158[BH]869[BH]695[BH]2%101[BH]49[BH]3786
• 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: 10.471 ± 0.004 Å
• b: 16.207 ± 0.007 Å
• c: 17.48 ± 0.01 Å
• α: 90°
• β: 102.567 ± 0.015°
• γ: 90°
• Cell volume: 2895 ± 2 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0604
• Residual factor for significantly intense reflections: 0.0473
• Weighted residual factors for significantly intense reflections: 0.0867
• Weighted residual factors for all reflections included in the refinement: 0.0937
• 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: Yes
• Has Fobs: No