Information card for entry 2228062

Structure parameters

• Chemical name: hexaaquacobalt(II) 7-oxo-8-(2-phenylhydrazin-1-ylidene)-7,8-dihydronaphthalene-1,3-disulfonate tetrahydrate
• Formula: C16 H30 Co N2 O17 S2
• Calculated formula: C16 H30 Co N2 O17 S2
• SMILES: [Co]([OH2])([OH2])([OH2])([OH2])([OH2])[OH2].S(=O)(=O)([O-])c1c2C(=N\Nc3ccccc3)\C(=O)C=Cc2cc(S(=O)(=O)[O-])c1.O.O.O.O
• Title of publication: The cobalt(II) salt of the azo dye Orange G
• Authors of publication: Kennedy, Alan R.; McKellar, Scott C.; Okoth, Maurice O.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 10
• Pages of publication: m1330 - m1331
• a: 10.0768 ± 0.0003 Å
• b: 14.6463 ± 0.0005 Å
• c: 26.3881 ± 0.0008 Å
• α: 93.47 ± 0.002°
• β: 90.813 ± 0.001°
• γ: 101.175 ± 0.001°
• Cell volume: 3812.4 ± 0.2 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1022
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for significantly intense reflections: 0.1275
• Weighted residual factors for all reflections included in the refinement: 0.1504
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes