Information card for entry 4307715

Structure parameters

• Formula: C22 H23 Cr Cu2 Mo6 N4 O28
• Calculated formula: C22 H23 Cr Cu2 Mo6 N4 O28
• SMILES: [Cr]12345[OH]6[Mo]78([OH]1[Mo]1([OH]2[Mo]2([OH]3[Mo]3([OH]4[Mo]4([OH]5[Mo]6(O7)(O4)(=O)=O)(O3)(=O)=O)(O2)(=O)=O)(O1)(=O)=O)(O8)(=O)=O)(O[Cu]12([n]3ccccc3c3cccc[n]13)[O]=C1C(O2)=[O][Cu]2([n]3ccccc3c3cccc[n]23)O1)=O
• Title of publication: Organic-Inorganic Hybrids Constructed of Anderson-Type Polyoxoanions and Oxalato-Bridged Dinuclear Copper Complexes
• Authors of publication: Ruige Cao; Shuxia Liu; Linhua Xie; Yibing Pan; Jianfang Cao; Yuanhang Ren; Lin Xu
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 3541 - 3547
• a: 14.2385 ± 0.0007 Å
• b: 26.3312 ± 0.0013 Å
• c: 10.2825 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3855.1 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0559
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.0782
• Weighted residual factors for all reflections included in the refinement: 0.0831
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No