Information card for entry 2216513

Structure parameters

• Chemical name: 1,7-Bis(diphenylphosphino)-1,7-dicarba-closo-dodecaborane
• Formula: C26 H30 B10 P2
• Calculated formula: C26 H30 B10 P2
• SMILES: P([C]1234[BH]567[C]89%10(P(c%11ccccc%11)c%11ccccc%11)[BH]%1115[BH]152[BH]2%123[BH]346[BH]46%12[BH]%1252[BH]8%111[BH]%106%12[BH]7934)(c1ccccc1)c1ccccc1
• Title of publication: 1,7-Bis(diphenylphosphino)-1,7-dicarba-<i>closo</i>-dodecaborane
• Authors of publication: Quanchang Wang; Dacheng Li; Daqi Wang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: o4918 - o4918
• a: 9.783 ± 0.005 Å
• b: 18.069 ± 0.009 Å
• c: 16.373 ± 0.008 Å
• α: 90°
• β: 104.399 ± 0.006°
• γ: 90°
• Cell volume: 2803 ± 2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0915
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for significantly intense reflections: 0.1102
• Weighted residual factors for all reflections included in the refinement: 0.1427
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes