Information card for entry 2227790

Structure parameters

• Chemical name: {μ~2~-6,6'-Dimethoxy-2,2'-[butane-1,4-diylbis(nitrilomethylidyne)]diphenolato}\ trinitratocopper(II)neodymium(III)
• Formula: C20 H22 Cu N5 Nd O13
• Calculated formula: C20 H22 Cu N5 Nd O13
• Title of publication: {μ~2~-6,6'-Dimethoxy-2,2'-[butane-1,4-diylbis(nitrilomethylidyne)]diphenolato}trinitratocopper(II)neodymium(III)
• Authors of publication: Xing, Jing-Chun; Cui, Xiao-Guang; Zhang, Bing; Li, Wen-Zhi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 11
• Pages of publication: m1423
• a: 11.729 ± 0.002 Å
• b: 14.85 ± 0.003 Å
• c: 15.063 ± 0.003 Å
• α: 90°
• β: 100.85 ± 0.03°
• γ: 90°
• Cell volume: 2576.7 ± 0.9 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0547
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.1109
• Weighted residual factors for all reflections included in the refinement: 0.1182
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes