Information card for entry 4306931

Structure parameters

• Formula: C30 H38 As2 Mo6 N6 O30
• Calculated formula: C30 H38 As2 Mo6 N6 O30
• SMILES: c1[nH+]ccc(c1)c1cc[nH+]cc1.c1cc(cc[nH+]1)c1cc[nH+]cc1.O=[Mo]123([O]4[Mo]5(=O)(=O)(O[Mo]67([O]5[As]5(=O)[O]3[Mo]3(=O)(=O)(O[Mo]89(=O)(=O)[O]5[Mo](=O)(=O)([O]6[As]4(=O)[O]39)(O8)O7)O2)(=O)=O)O1)=O.O.c1c[nH+]ccc1c1cc[nH+]cc1.O.O.O
• Title of publication: A Series of New Organic-Inorganic Molybdenum Arsenate Complexes Based on [(ZnO6)(As3O3)2Mo6O18]4- and [HxAs2Mo6O26](6-x)- Clusters as SBUs
• Authors of publication: Chunyan Sun; Yangguang Li; Enbo Wang; Dongrong Xiao; Haiyan An; Lin Xu
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 1563 - 1574
• a: 14.691 ± 0.003 Å
• b: 18.645 ± 0.004 Å
• c: 10.623 ± 0.002 Å
• α: 90°
• β: 127.52 ± 0.03°
• γ: 90°
• Cell volume: 2307.9 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0298
• Residual factor for significantly intense reflections: 0.0247
• Weighted residual factors for significantly intense reflections: 0.0538
• Weighted residual factors for all reflections included in the refinement: 0.0545
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No