Information card for entry 7011430

Structure parameters

• Formula: C40 H40 Cu4 Mo12 N8 O40 S
• Calculated formula: C40 H40 Cu4 Mo12 N8 O40 S
• Title of publication: Hydrothermal synthesis and structures of three new copper complexes: [{Cu(2,2'-bipy}2(β-Mo8O26)], [{Cu(py)3}2{Cu(py)2}2(α-Mo8O26)] and [Cu(py)2]4[(SO4)Mo12O36]Electronic supplementary information (ESl) available: ESR spectra of 1 and 3, IR spectra of 1‒3. See http://www.rsc.org/suppdata/dt/b1/b111480h/
• Authors of publication: Yang, Wenbin; Lu, Canzhong; Zhuang, Honghui
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2002
• Journal issue: 14
• Pages of publication: 2879
• a: 12.1346 ± 0.0002 Å
• b: 13.3362 ± 0.0003 Å
• c: 13.376 ± 0.0003 Å
• α: 107.854 ± 0.001°
• β: 115.569 ± 0.001°
• γ: 103.049 ± 0.001°
• Cell volume: 1689.23 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0501
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for significantly intense reflections: 0.1149
• Weighted residual factors for all reflections included in the refinement: 0.1217
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No