Information card for entry 7003594

Structure parameters

• Formula: C52 H64 Cu4 F8 Mo12 N24 O54 Si
• Calculated formula: C52 H44 Cu4 F8 Mo12 N24 O54 Si
• Title of publication: Inorganic‒organic hybrid materials with different dimensions constructed from copper‒fluconazole metal‒organic units and Keggin polyanion clusters
• Authors of publication: Li, Shun-Li; Lan, Ya-Qian; Ma, Jian-Fang; Yang, Jin; Liu, Jie; Fu, Yao-Mei; Su, Zhong-Min
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 15
• Pages of publication: 2015 - 2025
• a: 11.406 ± 0.0005 Å
• b: 14.09 ± 0.0005 Å
• c: 16.614 ± 0.0006 Å
• α: 72.884 ± 0.001°
• β: 74.221 ± 0.001°
• γ: 76.009 ± 0.001°
• Cell volume: 2417.36 ± 0.16 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0981
• Residual factor for significantly intense reflections: 0.064
• Weighted residual factors for significantly intense reflections: 0.1456
• Weighted residual factors for all reflections included in the refinement: 0.1671
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No