Information card for entry 7020659

Structure parameters

• Common name: x82978
• Formula: C20.75 H27.5 B9 Cl1.5 N O3 P Rh
• Calculated formula: C20.75 H27.5 B9 Cl1.5 N O3 P Rh
• Title of publication: The VCD method‒a simple and reliable way to distinguish cage C and B atoms in (hetero)carborane structures determined crystallographically.
• Authors of publication: McAnaw, Amelia; Scott, Greig; Elrick, Lisa; Rosair, Georgina M.; Welch, Alan J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 3
• Pages of publication: 645 - 664
• a: 12.489 ± 0.0009 Å
• b: 14.5862 ± 0.001 Å
• c: 16.8809 ± 0.0012 Å
• α: 92.949 ± 0.004°
• β: 105.014 ± 0.004°
• γ: 107.242 ± 0.004°
• Cell volume: 2809.1 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1003
• Residual factor for significantly intense reflections: 0.0555
• Weighted residual factors for significantly intense reflections: 0.1227
• Weighted residual factors for all reflections included in the refinement: 0.1488
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No