Information card for entry 7056025

Structure parameters

• Formula: C40 H110 Cu Mo36 N24 O163 P12 Sr5
• Calculated formula: C40 H110 Cu1.12 Mo36 N24 O163 P12 Sr4.88
• Title of publication: The basket-type dimer layers based on tetra-electron reduced heteropoly blue directed by copper/nickel and strontium linkers
• Authors of publication: Wang, Wei-wei; Lv, Jing-hua; Yu, Kai; Wang, Chun-mei; Zhang, He; Wu, Chu; Zhou, Bai-bin
• Journal of publication: New J. Chem.
• Year of publication: 2017
• Journal volume: 41
• Journal issue: 7
• Pages of publication: 2687
• a: 23.2179 ± 0.0007 Å
• b: 14.1211 ± 0.0004 Å
• c: 30.9402 ± 0.0008 Å
• α: 90°
• β: 98.284 ± 0.002°
• γ: 90°
• Cell volume: 10038.3 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 8
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.1002
• Residual factor for significantly intense reflections: 0.0563
• Weighted residual factors for significantly intense reflections: 0.15
• Weighted residual factors for all reflections included in the refinement: 0.1747
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No