Information card for entry 7003769

Structure parameters

• Formula: C14 H39 B10 Cl P2
• Calculated formula: C14 H39 B10 Cl P2
• SMILES: [C]12([BH]34[BH]561[BH]172[BH]28[C]9([BH]%10%113[BH]329[BH]218[BH]1%113[BH]45%10[BH]6721)=P(CC)(CC)Cl)=P(C(C)(C)C)C(C)(C)C
• Title of publication: A simple entry into nido-C2B10 clusters: HCl promoted cleavage of the C‒C bond in ortho-carboranyl diphosphines
• Authors of publication: Charmant, Jonathan P. H.; Haddow, Mairi F.; Mistry, Rakesh; Norman, Nicholas C.; Orpen, A. Guy; Pringle, Paul G.
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 11
• Pages of publication: 1409 - 1411
• a: 17.625 ± 0.004 Å
• b: 8.5424 ± 0.0017 Å
• c: 17.324 ± 0.004 Å
• α: 90°
• β: 113.6 ± 0.03°
• γ: 90°
• Cell volume: 2390.1 ± 1.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1203
• Residual factor for significantly intense reflections: 0.0717
• Weighted residual factors for significantly intense reflections: 0.1552
• Weighted residual factors for all reflections included in the refinement: 0.1794
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71074 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No