Information card for entry 7056026

Structure parameters

• Formula: C40 H107.5 Mo36 N24 Ni O161.5 P12 Sr5
• Calculated formula: C40 H107.4 Mo36 N24 Ni1.1 O161.7 P12 Sr4.9
• 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: 23.2228 ± 0.0004 Å
• b: 14.1531 ± 0.0003 Å
• c: 30.9026 ± 0.0005 Å
• α: 90°
• β: 98.311 ± 0.001°
• γ: 90°
• Cell volume: 10050.2 ± 0.3 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: 0.1015
• Residual factor for significantly intense reflections: 0.0865
• Weighted residual factors for significantly intense reflections: 0.1465
• Weighted residual factors for all reflections included in the refinement: 0.169
• Goodness-of-fit parameter for all reflections included in the refinement: 1.211
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No