Information card for entry 7019568

Structure parameters

• Formula: C31 H45 Cl2 Cu N12.5 O3.75
• Calculated formula: C31 H43.5 Cl2 Cu N12.5 O3.75
• Title of publication: Two solvent and temperature dependent copper(ii) compounds formed by a flexible ligand: syntheses, structures and SC-SC transformation.
• Authors of publication: Sun, Haixia; Xie, Wenli; Lv, Shenghong; Xu, Yan; Wu, Yong; Zhou, Yaoming; Ma, Zhenmao; Fang, Min; Liu, Hong-Ke
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 25
• Pages of publication: 7590 - 7594
• a: 15.934 ± 0.007 Å
• b: 11.519 ± 0.005 Å
• c: 23.519 ± 0.011 Å
• α: 90°
• β: 109.216 ± 0.006°
• γ: 90°
• Cell volume: 4076 ± 3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0669
• Residual factor for significantly intense reflections: 0.0542
• Weighted residual factors for significantly intense reflections: 0.1706
• Weighted residual factors for all reflections included in the refinement: 0.1759
• Goodness-of-fit parameter for all reflections included in the refinement: 1.151
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No