Information card for entry 2016227

Structure parameters

• Chemical name: Bis[diaquabis(2,2-bipyridine N,N'-dioxide-<i>κ</i>^2^O,O')cobalt(II)] ξ-octamolybdate dihydrate
• Formula: C40 H44 Co2 Mo8 N8 O40
• Calculated formula: C40 H44 Co2 Mo8 N8 O40
• SMILES: c1cccc2n1=[O][Co]1([O]=n3ccccc3c3ccccn3=[O]1)([OH2])([O]=n1c2cccc1)[OH2].O=[Mo]12(=O)[O]3[Mo]456([O]7[Mo]89%10([O]4[Mo](=O)(=O)(O1)(O6)[O]%10[Mo]1(=O)(=O)[O]9[Mo](=O)(=O)(O1)O[Mo]7([O]5[Mo]3(=O)(=O)O2)(=O)(=O)O8)=O)=O.O.c1cccc2c3ccccn3=[O][Co]3([O]=n4ccccc4c4n(cccc4)=[O]3)([O]=n12)([OH2])[OH2].O
• Title of publication: Bis[diaquabis(2,2-bipyridine <i>N</i>,<i>N</i>'-dioxide-<i>{κ</i>}^2^<i>O</i>,<i>O</i>')cobalt(II)] {ξi}-octamolybdate dihydrate
• Authors of publication: Tan Su; Ya-Qian Lan
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 11
• Pages of publication: m522 - m524
• a: 12.603 ± 0.003 Å
• b: 18.014 ± 0.003 Å
• c: 14.658 ± 0.004 Å
• α: 90°
• β: 110.392 ± 0.005°
• γ: 90°
• Cell volume: 3119.3 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0389
• Residual factor for significantly intense reflections: 0.0275
• Weighted residual factors for significantly intense reflections: 0.0578
• Weighted residual factors for all reflections included in the refinement: 0.0619
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes