Information card for entry 7037975

Structure parameters

• Formula: C14 H26 B10 N2 O2
• Calculated formula: C14 H26 B10 N2 O2
• SMILES: [BH]1234[BH]567[BH]89%10[C]26(N2[C@H]6CC[C@H](C=C6)O2)[BH]263[BH]3%11%12[BH]%139([BH]978[BH]715[BH]3%139[BH]46%127)[C]%102%11N1[C@H]2CC[C@H](C=C2)O1.[BH]1234[BH]567[BH]89%10[C]26(N2[C@@H]6CC[C@@H](C=C6)O2)[BH]263[BH]3%11%12[BH]%139([BH]978[BH]715[BH]3%139[BH]46%127)[C]%102%11N1[C@@H]2CC[C@@H](C=C2)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: 17.316 ± 0.005 Å
• b: 10.39 ± 0.003 Å
• c: 11.385 ± 0.004 Å
• α: 90°
• β: 110.266 ± 0.019°
• γ: 90°
• Cell volume: 1921.5 ± 1.1 ų
• Cell temperature: 100 ± 0.2 K
• Ambient diffraction temperature: 100 ± 0.2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0619
• Residual factor for significantly intense reflections: 0.0426
• Weighted residual factors for significantly intense reflections: 0.1171
• Weighted residual factors for all reflections included in the refinement: 0.129
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No