Information card for entry 7052558

Structure parameters

• Formula: C40 H64 Cu4 Mo8 N24 O26
• Calculated formula: C40 H64 Cu4 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: 10.85 ± 0.001 Å
• b: 12.843 ± 0.001 Å
• c: 14.74 ± 0.001 Å
• α: 112.112 ± 0.005°
• β: 100.83 ± 0.004°
• γ: 98.902 ± 0.004°
• Cell volume: 1810.7 ± 0.3 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: 0.1646
• Residual factor for significantly intense reflections: 0.0596
• Weighted residual factors for significantly intense reflections: 0.0774
• Weighted residual factors for all reflections included in the refinement: 0.0851
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No