Information card for entry 7052557

Structure parameters

• Formula: C40 H64 Cu2 Mo8 N24 O26
• Calculated formula: C40 H64 Cu2 Mo8 N24 O26
• Title of publication: Three 3D octamolybdate-based hybrids with 1D‒3D CuI/CuII-bis(triazole) motifs: influence of the amount of Et3N
• Authors of publication: Zhang, Chun-Jing; Pang, Hai-Jun; Tang, Qun; Wang, Hui-Yuan; Chen, Ya-Guang
• Journal of publication: New Journal of Chemistry
• Year of publication: 2011
• Journal volume: 35
• Journal issue: 1
• Pages of publication: 190
• a: 12.481 ± 0.003 Å
• b: 12.862 ± 0.004 Å
• c: 13.332 ± 0.004 Å
• α: 100.001 ± 0.002°
• β: 105.253 ± 0.002°
• γ: 111.736 ± 0.003°
• Cell volume: 1828.1 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0533
• Residual factor for significantly intense reflections: 0.0326
• Weighted residual factors for significantly intense reflections: 0.066
• Weighted residual factors for all reflections included in the refinement: 0.0678
• Goodness-of-fit parameter for all reflections included in the refinement: 0.96
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No