Information card for entry 2006107

Structure parameters

• Formula: C27 H31 Au B9 Cl5 P2
• Calculated formula: C27 H31 Au B9 Cl5 P2
• SMILES: [Au]1(Cl)(Cl)[P](c2ccccc2)(c2ccccc2)[C]([BH]23[BH]4567)([BH]248[BH]5249)([BH]285%10)[C]5([BH]4%102[BH]6948)([BH]24[BH2]378)[P]1(c1ccccc1)c1ccccc1.C(Cl)(Cl)Cl
• Title of publication: <i>cis</i>-[7,8-Bis(diphenylphosphino)-7,8-dicarba-<i>nido</i>-undecaborato-<i>P</i>,<i>P</i>']dichlorogold(III) Chloroform Solvate
• Authors of publication: Jones, Peter G.; Villacampa, M. Dolores; Crespo, Olga; Gimeno, M. Concepcíon; Laguna, Antonio
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 5
• Pages of publication: 570 - 572
• a: 11.872 ± 0.002 Å
• b: 8.477 ± 0.002 Å
• c: 34.557 ± 0.005 Å
• α: 90°
• β: 93.36 ± 0.006°
• γ: 90°
• Cell volume: 3471.8 ± 1.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• 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: 0.0834
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for all reflections: 0.07
• Weighted residual factors for significantly intense reflections: 0.0624
• Goodness-of-fit parameter for all reflections: 0.82
• Goodness-of-fit parameter for significantly intense reflections: 0.942
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No