Information card for entry 4500770

Structure parameters

• Formula: C60 H110 Mo24 N36 Ni2 O86 P2
• Calculated formula: C60 H98 Mo24 N36 Ni2 O86 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: 13.8427 ± 0.0012 Å
• b: 18.2148 ± 0.0015 Å
• c: 26.861 ± 0.002 Å
• α: 90°
• β: 94.172 ± 0.001°
• γ: 90°
• Cell volume: 6754.8 ± 1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0855
• Residual factor for significantly intense reflections: 0.0561
• Weighted residual factors for significantly intense reflections: 0.1045
• Weighted residual factors for all reflections included in the refinement: 0.1116
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No