Information card for entry 7019567

Structure parameters

• Formula: C30 H36 Cl2 Cu N12
• Calculated formula: C30 H36 Cl2 Cu N12
• 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: 18.319 ± 0.0018 Å
• b: 8.4965 ± 0.0009 Å
• c: 21.474 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3342.4 ± 0.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0559
• Residual factor for significantly intense reflections: 0.0335
• Weighted residual factors for significantly intense reflections: 0.0786
• Weighted residual factors for all reflections included in the refinement: 0.0932
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No