Information card for entry 8101813

Structure parameters

• Chemical name: diaquabis(5-chlorosalicylaldehydato)cobalt(II)
• Formula: C14 H12 Cl2 Co O6
• Calculated formula: C14 H12 Cl2 Co O6
• SMILES: [Co]12(Oc3c(cc(Cl)cc3)C=[O]2)(Oc2c(cc(Cl)cc2)C=[O]1)([OH2])[OH2]
• Title of publication: Crystal structure of diaquabis(5-chlorosalicylaldehydato)cobalt(II), Co(H~2~O)~2~(C~7~H~4~ClO~2~)~2~
• Authors of publication: Z.-X. Li; X.-L. Zhang
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2005
• Journal volume: 220
• Journal issue: 3
• Pages of publication: 427 - 428
• a: 15.412 ± 0.002 Å
• b: 7.474 ± 0.002 Å
• c: 14.733 ± 0.002 Å
• α: 90°
• β: 116.703 ± 0.002°
• γ: 90°
• Cell volume: 1516.1 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• 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: 0.0643
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.0906
• Weighted residual factors for all reflections included in the refinement: 0.1006
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No