Information card for entry 4338401

Structure parameters

• Common name: 12022s
• Formula: C31 H37 Cl2 Cu N3 O3
• Calculated formula: C31 H37 Cl2 Cu N3 O3
• Title of publication: Linkage Isomerism in Transition-Metal Complexes of Mixed (Arylcarboxamido)(arylimino)pyridine Ligands.
• Authors of publication: Boyce, David W.; Salmon, Debra J.; Tolman, William B.
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 11
• Pages of publication: 5788 - 5796
• a: 16.9991 ± 0.0008 Å
• b: 13.5041 ± 0.0007 Å
• c: 16.72 ± 0.0008 Å
• α: 90°
• β: 109.239 ± 0.001°
• γ: 90°
• Cell volume: 3623.8 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0616
• Residual factor for significantly intense reflections: 0.0478
• Weighted residual factors for significantly intense reflections: 0.1453
• Weighted residual factors for all reflections included in the refinement: 0.154
• Goodness-of-fit parameter for all reflections included in the refinement: 1.15
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No