Information card for entry 4326301

Structure parameters

• Formula: As2 Fe5 H96 Mo22 N15 Ni O103
• Calculated formula: As2 Fe5 Mo22 Ni O118
• Title of publication: Three Banana-Shaped Arsenomolybdates Encapsulating a Hexanuclear Transition-Metal Central Magnetic Cluster: [AsIII2FeIII5MMo22O85(H2O)]n- (M = Fe3+, n = 14; M = Ni2+ and Mn2+, n = 15)
• Authors of publication: Bin Liu; Lili Li; Yanping Zhang; Ying Ma; Huaiming Hu; Ganglin Xue
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 9172 - 9177
• a: 16.3842 ± 0.0011 Å
• b: 17.6856 ± 0.0011 Å
• c: 19.9638 ± 0.0013 Å
• α: 93.388 ± 0.001°
• β: 107.607 ± 0.001°
• γ: 99.464 ± 0.001°
• Cell volume: 5402.2 ± 0.6 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: 0.0668
• Residual factor for significantly intense reflections: 0.0504
• Weighted residual factors for significantly intense reflections: 0.1477
• Weighted residual factors for all reflections included in the refinement: 0.1661
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No