Information card for entry 4502673

Structure parameters

• Formula: C25 H50 Mo7 N10 O32 Zn
• Calculated formula: C25 H25 Mo7 N10 O32 Zn
• SMILES: [Mo]123(O[Zn]([OH2])([OH2])([OH2])([OH2])[n]4cc(ccc4)N)(=O)O[Mo]45([O]61[Mo]1(O3)(O[Mo]37(O[Mo]89(=O)(=O)[O]%103[Mo](O8)(O4)([O]5[Mo]6%10(O2)([O]17)O9)(=O)=O)(=O)=O)(=O)=O)(=O)=O.O.O.O.O.c1c(ccc[nH+]1)N.c1c(cccn1)N.c1(c[nH+]ccc1)N.c1(c[nH+]ccc1)N
• Title of publication: Polyoxometalate Supported Transition Metal Complexes: Synthesis, Crystal Structures, and Supramolecular Chemistry
• Authors of publication: Arumuganathan, T.; Rao, A. Srinivasa; Das, Samar K.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2010
• Journal volume: 10
• Journal issue: 10
• Pages of publication: 4272
• a: 18.328 ± 0.004 Å
• b: 13.624 ± 0.003 Å
• c: 20.406 ± 0.004 Å
• α: 90°
• β: 96.377 ± 0.003°
• γ: 90°
• Cell volume: 5063.9 ± 1.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.019
• Residual factor for significantly intense reflections: 0.0188
• Weighted residual factors for significantly intense reflections: 0.0494
• Weighted residual factors for all reflections included in the refinement: 0.0495
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No