Information card for entry 7037974

Structure parameters

• Formula: C14 H26 B10 N2 O2
• Calculated formula: C14 H26 B10 N2 O2
• SMILES: [BH]1234[C]56([BH]789[BH]%10%116[BH]615[BH]153[BH]3%122[BH]27([BH]753[BH]%1061[BH]9%1127)[C]48%12N1[C@H]2C=C[C@H](CC2)O1)N1[C@@H]2C=C[C@@H](CC2)O1
• 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: 11.409 ± 0.004 Å
• b: 16.464 ± 0.005 Å
• c: 10.356 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1945.2 ± 1.1 ų
• Cell temperature: 100 ± 0.2 K
• Ambient diffraction temperature: 100 ± 0.2 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0681
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.0984
• Weighted residual factors for all reflections included in the refinement: 0.1092
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No