Information card for entry 7101188

Structure parameters

• Formula: C36 H43 B Cl4 F6 N9 O P2 Rh S3
• Calculated formula: C36 H43 B Cl4 F6 N9 O P2 Rh S3
• Title of publication: The oxidative activation of a B-H bond: novel route to metallaboratrane complexes
• Authors of publication: Adams, C.J.; Blagg, R.J.; Charmant, J.P.H.; Connelly, N.G.; Haddow, M.F.; Orpen, A.G.
• Journal of publication: Chemical Communications
• Year of publication: 2006
• Journal issue: 22
• a: 12.8991 ± 0.0019 Å
• b: 14.035 ± 0.002 Å
• c: 14.286 ± 0.002 Å
• α: 68.377 ± 0.005°
• β: 88.304 ± 0.006°
• γ: 87.738 ± 0.005°
• Cell volume: 2402.1 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 10
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0997
• Residual factor for significantly intense reflections: 0.0552
• Weighted residual factors for significantly intense reflections: 0.1188
• Weighted residual factors for all reflections included in the refinement: 0.1364
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No