Information card for entry 7118074

Structure parameters

• Formula: C19 H37 B10 N
• Calculated formula: C19 H37 B10 N
• SMILES: N(=C([C]1234[CH]567[BH]891[BH]1%102[BH]2%113[BH]345[BH]45%11[BH]%11%102[BH]291[BH]168[BH]734[BH]5%1121)\C(C)(C)C)\c1c(cccc1C(C)C)C(C)C
• Title of publication: The synthesis and structure of a carbene-stabilized iminocarboranyl-boron(I) compound
• Authors of publication: Hao Wang; Jiji Zhang; Zhenyang Lin; Zuowei Xie
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 16817
• a: 10.5147 ± 0.0013 Å
• b: 20.272 ± 0.002 Å
• c: 12.1906 ± 0.0014 Å
• α: 90°
• β: 108.022 ± 0.002°
• γ: 90°
• Cell volume: 2471 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• 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: 0.125
• Residual factor for significantly intense reflections: 0.0841
• Weighted residual factors for significantly intense reflections: 0.2165
• Weighted residual factors for all reflections included in the refinement: 0.2608
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No