Information card for entry 2228056

Structure parameters

• Chemical name: Tris(2,2'-bipyridine)nickel(II) hexamolybdate
• Formula: C30 H24 Mo6 N6 Ni O19
• Calculated formula: C30 H24 Mo6 N6 Ni O19
• SMILES: c1cccc2c3cccc[n]3[Ni]34([n]12)([n]1ccccc1c1cccc[n]31)[n]1c(c2cccc[n]42)cccc1.[Mo]1234(=O)O[Mo]567(=O)O[Mo]89%10(=O)O[Mo]%11(=O)(O6)(O1)O[Mo]1(=O)(O9)(O[Mo](=O)(O5)(O2)(O8)[O]47%10%111)O3
• Title of publication: Tris(2,2'-bipyridine)nickel(II) hexamolybdate
• Authors of publication: Fan, Liming; Wei, Peihai; Pang, Shuming; Zhang, Xiutang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 9
• Pages of publication: m1119
• a: 12.3549 ± 0.0007 Å
• b: 18.9866 ± 0.001 Å
• c: 17.1974 ± 0.0009 Å
• α: 90°
• β: 101.114 ± 0.001°
• γ: 90°
• Cell volume: 3958.5 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0333
• Residual factor for significantly intense reflections: 0.0234
• Weighted residual factors for significantly intense reflections: 0.0652
• Weighted residual factors for all reflections included in the refinement: 0.0721
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes