Information card for entry 7003770

Structure parameters

• Formula: C22 H50 B10 P2
• Calculated formula: C22 H50 B10 P2
• SMILES: P([C]1234[BH]567[BH]891[BH]1%105[BH]5%116[BH]627[BH]27%11[BH]%11%105[BH]591[BH]138[BH]2%115[C]4671P(C(C)(C)C)C(C)(C)C)(C1CCCCC1)C1CCCCC1
• 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: 9.936 ± 0.002 Å
• b: 17.9 ± 0.004 Å
• c: 16.742 ± 0.003 Å
• α: 90°
• β: 106.23 ± 0.03°
• γ: 90°
• Cell volume: 2859 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• 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: 0.0391
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for significantly intense reflections: 0.1052
• Weighted residual factors for all reflections included in the refinement: 0.1085
• Goodness-of-fit parameter for all reflections included in the refinement: 1.3
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71074 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No