Information card for entry 7000614

Structure parameters

• Formula: C38 H47 Cl2 Cu F6 N3 O P
• Calculated formula: C38 H47 Cl2 Cu F6 N3 O P
• Title of publication: Copper(i) complexes of cis,cis-1,3,5-tris(mesitylideneamino)cyclohexane ligands: synthesis, structure and substrate selectivity
• Authors of publication: Cushion, Michael; Ebrahimpour, Parisa; Haddow, Mairi F.; Hallett, Andrew J.; Mansell, Stephen M.; Orpen, A. Guy; Wass, Duncan F.
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 9
• Pages of publication: 1632 - 1635
• a: 11.8606 ± 0.0005 Å
• b: 16.2562 ± 0.0007 Å
• c: 20.992 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4047.4 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0923
• Residual factor for significantly intense reflections: 0.0595
• Weighted residual factors for significantly intense reflections: 0.1555
• Weighted residual factors for all reflections included in the refinement: 0.1753
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No