Information card for entry 2214328

Structure parameters

• Chemical name: 1,2-Bis(dicyclohexylphosphino)-1,2-dicarba-closo-dodecaborane
• Formula: C26 H54 B10 P2
• Calculated formula: C26 H54 B10 P2
• SMILES: [BH]1234[BH]567[BH]89%10[BH]%11%125[BH]516[BH]164[BH]4%13%14[BH]9%11([BH]%1256%13)[C]5%10%14([C]278(P(C2CCCCC2)C2CCCCC2)[BH]3145)P(C1CCCCC1)C1CCCCC1
• Title of publication: 1,2-Bis(dicyclohexylphosphino)-1,2-dicarba-<i>closo</i>-dodecaborane
• Authors of publication: Fang-Fang Su; Jian-Min Dou; Da-Cheng Li; Da-Qi Wang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 7
• Pages of publication: o3335 - o3335
• a: 21.507 ± 0.002 Å
• b: 10.035 ± 0.0014 Å
• c: 15.2976 ± 0.0018 Å
• α: 90°
• β: 103.196 ± 0.002°
• γ: 90°
• Cell volume: 3214.4 ± 0.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0997
• Residual factor for significantly intense reflections: 0.0631
• Weighted residual factors for significantly intense reflections: 0.1571
• Weighted residual factors for all reflections included in the refinement: 0.1967
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes