Information card for entry 7020474

Structure parameters

• Formula: C20 H10 Cu2 Mo4 N6 O23
• Calculated formula: C20 H10 Cu2 Mo4 N6 O23
• Title of publication: Spin canting magnetization in a 3D Cu(ii) complex based on molybdate oxide cluster and 5-triazole isophthalic acid.
• Authors of publication: Zhu, Min; Su, Sheng-Qun; Song, Xue-Zhi; Hao, Zhao-Min; Song, Shu-Yan; Zhang, Hong-Jie
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 43
• Pages of publication: 13267 - 13270
• a: 8.075 ± 0.005 Å
• b: 8.188 ± 0.005 Å
• c: 12.486 ± 0.005 Å
• α: 94.988 ± 0.005°
• β: 107.158 ± 0.005°
• γ: 104.866 ± 0.005°
• Cell volume: 750.5 ± 0.7 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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 all reflections: 0.0243
• Residual factor for significantly intense reflections: 0.0233
• Weighted residual factors for significantly intense reflections: 0.0658
• Weighted residual factors for all reflections included in the refinement: 0.0664
• Goodness-of-fit parameter for all reflections included in the refinement: 1.121
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No