Information card for entry 7034527

Structure parameters

• Formula: C64 H72 B6 N8 O12
• Calculated formula: C64 H72 B6 N8 O12
• Title of publication: 1,1/1,2 Isomerisation in Lewis base adducts of B2cat2.
• Authors of publication: Cade, I. A.; Chau, W. Y.; Vitorica-Yrezabal, I; Ingleson, M. J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 16
• Pages of publication: 7506 - 7511
• a: 9.0422 ± 0.0009 Å
• b: 10.6101 ± 0.001 Å
• c: 16.1806 ± 0.0014 Å
• α: 82.739 ± 0.008°
• β: 86.594 ± 0.007°
• γ: 76.681 ± 0.008°
• Cell volume: 1497.7 ± 0.2 ų
• Cell temperature: 150.03 ± 0.18 K
• Ambient diffraction temperature: 150.03 ± 0.18 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1195
• Residual factor for significantly intense reflections: 0.0858
• Weighted residual factors for all reflections: 0.2016
• Weighted residual factors for significantly intense reflections: 0.1895
• Weighted residual factors for all reflections included in the refinement: 0.2016
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No