Information card for entry 7037969

Structure parameters

• Formula: C4 H20 B20 N2 O2
• Calculated formula: C4 H20 B20 N2 O1.998
• Title of publication: Developing nitrosocarborane chemistry.
• Authors of publication: Powley, Samuel L.; Schaefer, Louise; Man, Wing Y.; Ellis, David; Rosair, Georgina M.; Welch, Alan J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 8
• Pages of publication: 3635 - 3647
• a: 16.3052 ± 0.0005 Å
• b: 16.3052 ± 0.0005 Å
• c: 6.9144 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1838.26 ± 0.11 ų
• Cell temperature: 100 ± 0.2 K
• Ambient diffraction temperature: 100 ± 0.2 K
• Number of distinct elements: 5
• Space group number: 86
• Hermann-Mauguin space group symbol: P 42/n
• Hall space group symbol: -P 4bc
• Residual factor for all reflections: 0.047
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for significantly intense reflections: 0.1137
• Weighted residual factors for all reflections included in the refinement: 0.116
• Goodness-of-fit parameter for all reflections included in the refinement: 1.145
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No