Information card for entry 4508799

Structure parameters

• Chemical name: [Cu(bib)2]Cl2-H2O
• Formula: C28 H28 Br2 Cl2 Cu N8 O
• Calculated formula: C28 H26 Br2 Cl2 Cu N8 O
• Title of publication: Syntheses, Crystal Structures, and Magnetic Properties of Novel Copper(II) Complexes with the Flexible Bidentate Ligand 1-Bromo-3,5-bis(imidazol-1-ylmethyl)benzene
• Authors of publication: Meng, Wen-Li; Liu, Guang-Xiang; Okamura, Taka-aki; Kawaguchi, Hiroyuki; Zhang, Zheng-Hua; Sun, Wei-Yin; Ueyama, Norikazu
• Journal of publication: Crystal Growth & Design
• Year of publication: 2006
• Journal volume: 6
• Journal issue: 9
• Pages of publication: 2092
• a: 8.952 ± 0.013 Å
• b: 9.096 ± 0.01 Å
• c: 10.114 ± 0.012 Å
• α: 81.39 ± 0.03°
• β: 86.47 ± 0.04°
• γ: 88.22 ± 0.04°
• Cell volume: 812.5 ± 1.8 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.276
• Residual factor for significantly intense reflections: 0.0615
• Weighted residual factors for significantly intense reflections: 0.063
• Weighted residual factors for all reflections included in the refinement: 0.0713
• Goodness-of-fit parameter for all reflections included in the refinement: 0.769
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No