Information card for entry 7011523

Structure parameters

• Common name: nido-^t^BuMeHN-7-CB~10~H~12~
• Formula: C6 H25 B10 N
• Calculated formula: C6 H25 B10 N
• SMILES: [BH]1234[BH]567[BH]891[BH]1%102[BH]2%113[BH]345[BH]45%11[BH]%11%102[BH]91([C]68([BH]734[H]5)[NH+](C)C(C)(C)C)[H]%11
• Title of publication: A convenient cyanide-free “one-pot” synthesis of nido-Me3N-7-CB10H12 and nido-7-CB10H13−
• Authors of publication: Batsanov, Andrei S.; Fox, Mark A.; Goeta, Andrés E.; Howard, Judith A. K.; Hughes, Andrew K.; Malget, John M.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2002
• Journal issue: 13
• Pages of publication: 2624
• a: 11.3418 ± 0.0014 Å
• b: 8.8099 ± 0.0011 Å
• c: 13.775 ± 0.0015 Å
• α: 90°
• β: 95.852 ± 0.004°
• γ: 90°
• Cell volume: 1369.2 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• 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: 0.067
• Residual factor for significantly intense reflections: 0.0496
• Weighted residual factors for significantly intense reflections: 0.125
• Weighted residual factors for all reflections included in the refinement: 0.1348
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No