Information card for entry 7011524

Structure parameters

• Common name: nido-CyMe~2~N-7-CB~10~H~12~
• Formula: C9 H29 B10 N
• Calculated formula: C9 H29 B10 N
• SMILES: [N+](C1CCCCC1)([C]123[BH]456[BH]789[BH]%1014[BH]147[BH]7%118[BH]859[BH]5%11([BH]947[BH]2%101[H]9)[H][BH]3685)(C)C
• 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: 9.2 ± 0.004 Å
• b: 11.114 ± 0.004 Å
• c: 15.636 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1598.8 ± 1.1 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0555
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for significantly intense reflections: 0.1045
• Weighted residual factors for all reflections included in the refinement: 0.1153
• Goodness-of-fit parameter for all reflections included in the refinement: 1.111
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No