Information card for entry 7103685

Structure parameters

• Formula: C20 H50 B Cl8 Cu6 F4 N9
• Calculated formula: C20 H51 B Cl8 Cu6 F4 N9
• Title of publication: Trimethyltriazacyclohexane as bridging ligand for triangular Cu3 units and C‒H hydride abstraction into a Cu6 cluster
• Authors of publication: Köhn, Randolf D.; Pan, Zhida; Mahon, Mary F.; Kociok-Köhn, Gabriele
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2003
• Journal issue: 11
• Pages of publication: 1272 - 1273
• a: 14.991 ± 0.0003 Å
• b: 13.405 ± 0.0004 Å
• c: 20.313 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4081.99 ± 0.18 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• 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: 0.0724
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.1198
• Weighted residual factors for all reflections included in the refinement: 0.1339
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No