Information card for entry 2242258

Structure parameters

• Chemical name: Diaqua[6,6'-sulfanediylbis(2,2'-bipyridine)]cobalt(II) dinitrate
• Formula: C20 H18 Co N6 O8 S
• Calculated formula: C20 H18 Co N6 O8 S
• SMILES: S1c2[n]3[Co]4([OH2])([OH2])([n]5c(cccc5)c5[n]4c1ccc5)[n]1c(cccc1)c3ccc2.O=N(=O)[O-].O=N(=O)[O-]
• Title of publication: A compressed octahedral cobalt(II) complex in the crystal structure of diaqua[6,6'-sulfanediylbis(2,2'-bipyridine)]cobalt(II) dinitrate
• Authors of publication: Li, Guo-Ling; Sato, Osamu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2017
• Journal volume: 73
• Journal issue: 7
• Pages of publication: 993 - 995
• a: 13.412 ± 0.003 Å
• b: 11.421 ± 0.002 Å
• c: 15.441 ± 0.003 Å
• α: 90°
• β: 110.5 ± 0.03°
• γ: 90°
• Cell volume: 2215.4 ± 0.9 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.059
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for significantly intense reflections: 0.0828
• Weighted residual factors for all reflections included in the refinement: 0.0898
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes