Information card for entry 7113560

Structure parameters

• Formula: C31 H50 Cl3 Cu2 N8 O14.5
• Calculated formula: C31 H49 Cl3 Cu2 N8 O14.5
• Title of publication: A novel imidazolate-bridged heterodinuclear Cu(II)Zn(II) complex derived from a unique macrocyclic ligand with two hydroxyethyl pendants
• Authors of publication: Li, Shu-an; Li, Dong-feng; Yang, De-xi; Li, Yi-zhi; Huang, Jin; Yu, Kai-bei; Tang, Wen-xia
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2003
• Journal issue: 7
• Pages of publication: 880 - 881
• 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
• Duplicate of: 7104051
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No