Information card for entry 4330389

Structure parameters

• Chemical name: nido-6-cyclohexyldecaborane(13)
• Formula: C6 H24 B10
• Calculated formula: C6 H24 B10
• SMILES: [BH]1234[BH]567[BH]891[BH]1%102[BH]2%119[BH]978[B]76([BH]35([BH]34%10[BH]12([H]%11)[H]3)[H]7)([H]9)C1CCCCC1
• Title of publication: Acid-Induced Opening of [closo-B10H10]2- as a New Route to 6-Substituted nido-B10H13 Decaboranes and Related Carboranes
• Authors of publication: Oleg Bondarev; Yulia V. Sevryugina; Satish S. Jalisatgi; M. Frederick Hawthorne
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 9935 - 9942
• a: 6.7776 ± 0.0003 Å
• b: 19.9757 ± 0.0007 Å
• c: 10.18 ± 0.0004 Å
• α: 90°
• β: 100.259 ± 0.002°
• γ: 90°
• Cell volume: 1356.21 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• 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: 0.0431
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.1062
• Weighted residual factors for all reflections included in the refinement: 0.1099
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: Cu-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No