Information card for entry 7018012

Structure parameters

• Formula: C42 H62 Cu N4 O2
• Calculated formula: C42 H62 Cu N4 O2
• Title of publication: H-bonding and steric effects on the properties of phenolate and phenoxyl radical complexes of Cu(II).
• Authors of publication: Zats, Galina M.; Arora, Himanshu; Lavi, Ronit; Yufit, Dmitry; Benisvy, Laurent
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 1
• Pages of publication: 47 - 49
• a: 25.4688 ± 0.0007 Å
• b: 9.5148 ± 0.0003 Å
• c: 16.9516 ± 0.0005 Å
• α: 90°
• β: 91.368 ± 0.01°
• γ: 90°
• Cell volume: 4106.7 ± 0.2 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 5
• 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: 0.0668
• Residual factor for significantly intense reflections: 0.0514
• Weighted residual factors for significantly intense reflections: 0.1342
• Weighted residual factors for all reflections included in the refinement: 0.1455
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Diffraction radiation X-ray symbol: K-L~3~
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No