Information card for entry 7231713

Structure parameters

• Formula: C12 H49 N6 Ni6 O50 P S W9
• Calculated formula: C12 H20 N6 Ni6 O45 P S W9
• Title of publication: Steam-assisted assemblies of {Ni6PW9}-based inorganic‒organic hybrid chains: synthesis, crystal structures and properties
• Authors of publication: Yin, Ying-Xue; Chen, Wei-Chao; Yao, Wei; Qin, Chao; Su, Zhong-Min
• Journal of publication: CrystEngComm
• Year of publication: 2018
• Journal volume: 20
• Journal issue: 46
• Pages of publication: 7507
• a: 13.28 ± 0.004 Å
• b: 19.351 ± 0.006 Å
• c: 23.254 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5976 ± 3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 8
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.068
• Residual factor for significantly intense reflections: 0.0546
• Weighted residual factors for significantly intense reflections: 0.1364
• Weighted residual factors for all reflections included in the refinement: 0.1442
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No