Information card for entry 7211706

Structure parameters

• Formula: C36 H48 Cl2 Cu N12 O8
• Calculated formula: C36 H32 Cl2 Cu N12 O8
• Title of publication: Metal‒organic coordination architectures of bis(1,2,4-triazole) ligands bearing different spacers: syntheses, structures and luminescent properties
• Authors of publication: Wang, Duo-Zhi; Hu, Tong-Liang; Zhao, Jiong-Peng; Bu, Xian-He
• Journal of publication: CrystEngComm
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 11
• Pages of publication: 3587
• a: 10.017 ± 0.003 Å
• b: 14.126 ± 0.003 Å
• c: 16.534 ± 0.004 Å
• α: 90°
• β: 102.947 ± 0.005°
• γ: 90°
• Cell volume: 2280.1 ± 1 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 6
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0794
• Residual factor for significantly intense reflections: 0.0677
• Weighted residual factors for significantly intense reflections: 0.1748
• Weighted residual factors for all reflections included in the refinement: 0.1912
• Goodness-of-fit parameter for all reflections included in the refinement: 0.94
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No