Information card for entry 7205058

Structure parameters

• Formula: C12 H12 Cu Mo4 N6 O14
• Calculated formula: C12 H12 Cu Mo4 N6 O14
• Title of publication: Unprecedented cyclic [Mo6O19]2− cluster and five organic‒inorganic hybrids based on polyoxomolybdates and 4-amino-3,5-bis(pyridyl)-1,2,4-triazole
• Authors of publication: Li, Ming-Xing; Chen, Hui-Ling; Geng, Jin-Peng; He, Xiang; Shao, Min; Zhu, Shou-Rong; Wang, Zhao-Xi
• Journal of publication: CrystEngComm
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 5
• Pages of publication: 1687
• a: 7.663 ± 0.0004 Å
• b: 29.474 ± 0.0017 Å
• c: 9.7421 ± 0.0006 Å
• α: 90°
• β: 101.823 ± 0.001°
• γ: 90°
• Cell volume: 2153.7 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0231
• Residual factor for significantly intense reflections: 0.021
• Weighted residual factors for significantly intense reflections: 0.0482
• Weighted residual factors for all reflections included in the refinement: 0.049
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No