Information card for entry 7019046

Structure parameters

• Formula: C75.2 H105.8 Cl2 Cu2 N12.6 O
• Calculated formula: C75.2 H105.8 Cl2 Cu2 N12.6 O
• Title of publication: Directed secondary interactions in transition metal complexes of tripodal pyrrole imine and amide ligands
• Authors of publication: Hart, John S.; Nichol, Gary S.; Love, Jason B.
• Journal of publication: Dalton Transactions
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 19
• Pages of publication: 5785
• a: 16.9395 ± 0.0003 Å
• b: 16.191 ± 0.0003 Å
• c: 26.7675 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7341.5 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0483
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.125
• Weighted residual factors for all reflections included in the refinement: 0.1268
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No