Information card for entry 4314239

Structure parameters

• Formula: C31 H50 Cl3 Cu2 N8 O14.5
• Calculated formula: C31 H49 Cl3 Cu2 N8 O14.5
• Title of publication: Syntheses, Structures, and Properties of Imidazolate-Bridged Cu(II)-Cu(II) and Cu(II)-Zn(II) Dinuclear Complexes of a Single Macrocyclic Ligand with Two Hydroxyethyl Pendants
• Authors of publication: Dongfeng Li; Shuan Li; Dexi Yang; Jiuhong Yu; Jin Huang; Yizhi Li; Wenxia Tang
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 6071 - 6080
• a: 18.709 ± 0.004 Å
• b: 19.238 ± 0.004 Å
• c: 23.1 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8314 ± 3 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 6
• 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: 0.2001
• Residual factor for significantly intense reflections: 0.0735
• Weighted residual factors for significantly intense reflections: 0.1679
• Weighted residual factors for all reflections included in the refinement: 0.2115
• Goodness-of-fit parameter for all reflections included in the refinement: 0.797
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No