Information card for entry 7205073

Structure parameters

• Formula: C24 H29 Cu2 Mo5 N16 O26 P2
• Calculated formula: C24 H29 Cu2 Mo5 N16 O26 P2
• SMILES: O.O.[Mo]123(O[Mo]45([O]6[Mo]7(O4)([O]4[Mo]8([O]([Mo](OP4(=O)[O]15)(O8)(O3)(=O)=O)P6(=O)O2)(O7)(=O)=O)(=O)=O)(O[Cu]12([n]3c([nH]cc3)c3[n]1cc[nH]3)[n]1c([nH]cc1)c1[n]2cc[nH]1)=O)(=O)=O.[Cu]12(O)([n]3c(c4[n]2cc[nH]4)[nH]cc3)[n]2c([nH]cc2)c2[n]1cc[nH]2
• Title of publication: Inorganic‒organic hybrids constructed from heteropolymolybdate anions and copper‒organic fragments: syntheses, structures and properties
• Authors of publication: Jin, Hai-Juan; Zhou, Bai-Bin; Yu, Yang; Zhao, Zhi-Feng; Su, Zhan-Hua
• Journal of publication: CrystEngComm
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 2
• Pages of publication: 585
• a: 10.2868 ± 0.0001 Å
• b: 10.7031 ± 0.0002 Å
• c: 21.5105 ± 0.0003 Å
• α: 80.713 ± 0.001°
• β: 84.376 ± 0.001°
• γ: 84.733 ± 0.001°
• Cell volume: 2319.06 ± 0.06 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: 0.0386
• Residual factor for significantly intense reflections: 0.0298
• Weighted residual factors for significantly intense reflections: 0.0691
• Weighted residual factors for all reflections included in the refinement: 0.0737
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No