Information card for entry 4326300

Structure parameters

• Formula: As2 Cu Fe6 H98 Mo22 N12 O110
• Calculated formula: As2 Cu Fe6 Mo22 O122
• 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: 16.1691 ± 0.0015 Å
• b: 18.3676 ± 0.0017 Å
• c: 20.8273 ± 0.0019 Å
• α: 96.626 ± 0.002°
• β: 105.473 ± 0.001°
• γ: 96.841 ± 0.001°
• Cell volume: 5848.4 ± 0.9 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.0846
• Residual factor for significantly intense reflections: 0.0585
• Weighted residual factors for significantly intense reflections: 0.1932
• Weighted residual factors for all reflections included in the refinement: 0.2224
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No