Information card for entry 2214781

Structure parameters

• Chemical name: 8-hydroxyquinoline N-oxide–diaquabis(8-hydroxyquinoline N-oxide-κO^1^)bis(thiocyanato-κN)cobalt(II) (2/1)
• Formula: C38 H32 Co N6 O10 S2
• Calculated formula: C38 H32 Co N6 O10 S2
• SMILES: C(=N[Co]([OH2])([O]=n1c2c(cccc2ccc1)O)(N=C=S)([OH2])[O]=n1c2c(cccc2ccc1)O)=S.Oc1cccc2c1n(=O)ccc2.n1(=O)c2c(O)cccc2ccc1
• Title of publication: The 2:1 adduct of 8-hydroxyquinoline <i>N</i>-oxide and diaquabis(8-hydroxyquinoline <i>N</i>-oxide)dithiocyanatocobalt(II)
• Authors of publication: Zhang, Shi-Guo; Xu, Hai-Yan; Shi, Jing-Min
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 8
• Pages of publication: m2083 - m2083
• a: 8.6381 ± 0.0013 Å
• b: 17.133 ± 0.003 Å
• c: 12.6809 ± 0.0019 Å
• α: 90°
• β: 93.967 ± 0.002°
• γ: 90°
• Cell volume: 1872.2 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0652
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.1125
• Weighted residual factors for all reflections included in the refinement: 0.1217
• Goodness-of-fit parameter for all reflections included in the refinement: 0.99
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes