Information card for entry 1563387

Structure parameters

• Formula: C8 H12 Cu2 Mo4 N6 O13
• Calculated formula: C8 H12 Cu2 Mo4 N6 O13
• Title of publication: Three 3D hybrid networks based on octamolybdates and different CuI/CuII-bis(triazole) motifs
• Authors of publication: Zhang, Chun-Jing; Pang, Hai-Jun; Tang, Qun; Wang, Hui-Yuan; Chen, Ya-Guang
• Journal of publication: Journal of Solid State Chemistry
• Year of publication: 2010
• Journal volume: 183
• Journal issue: 12
• Pages of publication: 2945 - 2950
• a: 21.2493 ± 0.0018 Å
• b: 13.2016 ± 0.0018 Å
• c: 14.7117 ± 0.0015 Å
• α: 90°
• β: 102.573 ± 0.002°
• γ: 90°
• Cell volume: 4028 ± 0.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.044
• Residual factor for significantly intense reflections: 0.0335
• Weighted residual factors for significantly intense reflections: 0.0851
• Weighted residual factors for all reflections included in the refinement: 0.0897
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No