Information card for entry 4500771

Structure parameters

• Formula: C40 H88 Mo24 N30 Ni3 O94 P2
• Calculated formula: C40 H60 Mo24 N30 Ni3 O94 P2
• Title of publication: Assembly of Three NiII‒Bis(triazole) Complexes by Exerting the Linkage and Template Roles of Keggin Anions
• Authors of publication: Wang, Xiu-li; Li, Jin; Tian, Ai-xiang; Zhao, Dan; Liu, Guo-cheng; Lin, Hong-yan
• Journal of publication: Crystal Growth & Design
• Year of publication: 2011
• Journal volume: 11
• Journal issue: 8
• Pages of publication: 3456
• a: 13.0024 ± 0.0008 Å
• b: 13.4765 ± 0.0009 Å
• c: 19.0107 ± 0.0013 Å
• α: 76.294 ± 0.001°
• β: 85.284 ± 0.001°
• γ: 74.768 ± 0.001°
• Cell volume: 3121.9 ± 0.4 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: 0.0785
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for significantly intense reflections: 0.1456
• Weighted residual factors for all reflections included in the refinement: 0.1692
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No