Information card for entry 2007792

Structure parameters

• Chemical name: 2,4-dichloro-6-exo-9-endo-bis(dimethylphenylphosphino)- arachno-decaborane(10)
• Formula: C16 H32 B10 Cl2 P2
• Calculated formula: C16 H32 B10 Cl2 P2
• SMILES: [BH]1234[B]567(Cl)[BH]891[B]1%102(Cl)[BH]2%119[H][BH]278[BH]6([BH]635[H][BH]4%106[BH]1%11[P](c1ccccc1)(C)C)[P](c1ccccc1)(C)C
• Title of publication: 2,4-Cl~2~-6,9-<i>exo</i>,<i>endo</i>-(PMe~2~Ph)~2~-<i>arachno</i>-B~10~H~10~
• Authors of publication: Dörfler, Udo; McGrath, Thomas D.; Cooke, Paul A.; Kennedy, John D.; Thornton-Pett, Mark
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 11
• Pages of publication: 1703 - 1705
• a: 9.7987 ± 0.0008 Å
• b: 19.1424 ± 0.0014 Å
• c: 13.3366 ± 0.0011 Å
• α: 90°
• β: 98.816 ± 0.007°
• γ: 90°
• Cell volume: 2472 ± 0.3 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 2 K
• Number of distinct elements: 5
• 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: 0.039
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for all reflections included in the refinement: 0.09
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 1.54186 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No