Information card for entry 7031539

Structure parameters

• Formula: C7 H17 Co N O9 S
• Calculated formula: C7 H17 Co N O9 S
• SMILES: [Co]1([OH]CCc2[n]1cccc2)([OH2])([OH2])([OH2])[OH2].S(=O)(=O)([O-])[O-]
• Title of publication: Retention of single crystals of two Co(ii) complexes during chemical reactions and rearrangement.
• Authors of publication: Mobin, Shaikh M.; Mohammad, Akbar
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 34
• Pages of publication: 13032
• a: 9.3343 ± 0.0004 Å
• b: 6.937 ± 0.0002 Å
• c: 10.574 ± 0.0004 Å
• α: 90°
• β: 92.156 ± 0.004°
• γ: 90°
• Cell volume: 684.2 ± 0.04 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0279
• Residual factor for significantly intense reflections: 0.026
• Weighted residual factors for significantly intense reflections: 0.069
• Weighted residual factors for all reflections included in the refinement: 0.0699
• Goodness-of-fit parameter for all reflections included in the refinement: 1.109
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No