Information card for entry 4502069

Structure parameters

• Formula: C12 H15 Cl2 Cu N8 O1.5
• Calculated formula: C12 H12 Cl2 Cu N8 O1.5
• SMILES: [Cu]12(Cl)([n]3c[nH]cc3c3[n]1c[nH]c3)[n]1c[nH]cc1c1[n]2c[nH]c1.[Cl-].O.O
• Title of publication: Supramolecular Architectures and Hydrogen-Bond Directionalities of 4,4′-Biimidazole Metal Complexes Depending on Coordination Geometries
• Authors of publication: Murata, Tsuyoshi; Yakiyama, Yumi; Nakasuji, Kazuhiro; Morita, Yasushi
• Journal of publication: Crystal Growth & Design
• Year of publication: 2010
• Journal volume: 10
• Journal issue: 11
• Pages of publication: 4898
• a: 7.569 ± 0.007 Å
• b: 11.619 ± 0.01 Å
• c: 19.4 ± 0.02 Å
• α: 93.78 ± 0.07°
• β: 85.04 ± 0.07°
• γ: 98.66 ± 0.07°
• Cell volume: 1678 ± 3 ų
• Cell temperature: 200.2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0484
• Weighted residual factors for all reflections included in the refinement: 0.1177
• Goodness-of-fit parameter for all reflections included in the refinement: 0.863
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No