Information card for entry 7013007

Structure parameters

• Common name: 6
• Formula: C31 H49 B11
• Calculated formula: C31 H49 B11
• SMILES: [CH]1234[B]567(C)[B]891(C)[B]1%102(C)[B]2%113(C)[B]345(C)[B]45%11(C)[B]%11%102(C)[B]291(C)[B]168(C)[B]734(C)[B]5%1121C.[C+](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Investigation of the synthesis of {Mo(η5-C5H5)(CO)3}+ fragments partnered with the monoanionic carboranes [closo-CB11H11Br]-, [closo-CB11H6Br6]- and [closo-HCB11Me11]- by silver salt metathesis and hydride abstraction
• Authors of publication: Patmore, Nathan J.; Ingleson, Michael J.; Mahon, Mary F.; Weller, Andrew S.
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 14
• Pages of publication: 2894 - 2904
• a: 9.56 ± 0.0008 Å
• b: 22.737 ± 0.0014 Å
• c: 15.305 ± 0.0013 Å
• α: 90°
• β: 96.048 ± 0.003°
• γ: 90°
• Cell volume: 3308.3 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• 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: 0.1688
• Residual factor for significantly intense reflections: 0.0758
• Weighted residual factors for significantly intense reflections: 0.172
• Weighted residual factors for all reflections included in the refinement: 0.2194
• 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: No