Information card for entry 4306927

Structure parameters

• Formula: C48 H44 As6 Mo6 N8 O36 Zn3
• Calculated formula: C48 H32 As6 Mo6 N8 O36 Zn3
• SMILES: [Mo]123(=O)(=O)[O]45[Zn]6789[O]%10%11[As]%12O[As]%13[O]%147[Mo]7(O[Mo]5%14(=[O][Zn]5%14([n]%15cccc%16ccc%17ccc[n]5c%17c%15%16)([n]5cccc%15ccc%16ccc[n]%14c%16c5%15)[OH2])(=O)O3)(O[Mo]3%10([O]87[As]5O[As]([O]76[Mo](O[Mo]%117(=[O][Zn]67([n]8cccc%10ccc%11ccc[n]6c%11c8%10)([n]6cccc8ccc%10ccc[n]7c%10c68)[OH2])(=O)O3)(O1)([O]29[As](O%13)O%12)(=O)=O)O[As]4O5)(=O)=O)(=O)=O.O.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: 10.493 ± 0.002 Å
• b: 10.781 ± 0.002 Å
• c: 15.639 ± 0.003 Å
• α: 77.55 ± 0.03°
• β: 77.86 ± 0.03°
• γ: 78.81 ± 0.03°
• Cell volume: 1668.3 ± 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: 0.112
• Residual factor for significantly intense reflections: 0.058
• Weighted residual factors for significantly intense reflections: 0.1149
• Weighted residual factors for all reflections included in the refinement: 0.1368
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No