Information card for entry 4509694

Structure parameters

• Formula: C12 H90 As2 Cu Mo12 N10 O70
• Calculated formula: C12 H18 As2 Cu Mo12 O80
• SMILES: O=[Mo]123(=O)O[Mo]4(=O)(=O)([O]2[As]2[O]5[Mo]6(O[Mo]5(O1)(=O)(=O)[O]=C(C)O6)(O[Mo]15([O]2[Mo](O4)(=O)(=O)(O1)[O]=C(C)O5)(=O)=O)(=O)=O)[O]=C(C)O3.[Cu]([OH2])([OH2])([OH2])[OH2].O.O.O.O.O.O.O.O.O.O.O.C1(C)=[O][Mo]23([O]4[As]5[O]6[Mo]7(O[Mo]6(=O)(=O)(O3)[O]=C(C)O7)(O[Mo]36([O]5[Mo](O[Mo]4(O2)(=O)(=O)O1)(=O)(=O)(O3)[O]=C(C)O6)(=O)=O)(=O)=O)(=O)=O.O.O.O.O.O.O.O.O.O.O.O
• Title of publication: Three Hybrid Organic−Inorganic Assemblies Based on Different Arsenatomolybdates and CuII−Organic Units
• Authors of publication: Li, Lili; Liu, Bin; Xue, Ganglin; Hu, Huaiming; Fu, Feng; Wang, Jiwu
• Journal of publication: Crystal Growth & Design
• Year of publication: 2009
• Journal volume: 9
• Journal issue: 12
• Pages of publication: 5206
• a: 10.7383 ± 0.0017 Å
• b: 11.9618 ± 0.0018 Å
• c: 18.087 ± 0.003 Å
• α: 71.024 ± 0.002°
• β: 88.929 ± 0.003°
• γ: 67.634 ± 0.002°
• Cell volume: 2017 ± 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: 0.0548
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for significantly intense reflections: 0.1032
• Weighted residual factors for all reflections included in the refinement: 0.1181
• Goodness-of-fit parameter for all reflections included in the refinement: 0.945
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No