Information card for entry 7011191

Structure parameters

• Formula: C6 H17.5 B4.5 N
• Calculated formula: C6.02 H17.02 B4.5 N
• Title of publication: Crystal and molecular structures of the nido-carborane anions, 7,9- and 2,9-C2B9H12−
• Authors of publication: Fox, Mark A.; Goeta, Andrés E.; Hughes, Andrew K.; Johnson, Andrew L.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2002
• Journal issue: 10
• Pages of publication: 2132
• a: 6.517 ± 0.001 Å
• b: 8.799 ± 0.002 Å
• c: 9.158 ± 0.002 Å
• α: 65.513 ± 0.003°
• β: 85.279 ± 0.003°
• γ: 83.91 ± 0.003°
• Cell volume: 474.79 ± 0.17 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0537
• Residual factor for significantly intense reflections: 0.0496
• Weighted residual factors for significantly intense reflections: 0.1469
• Weighted residual factors for all reflections included in the refinement: 0.1521
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No