Information card for entry 7031541

Structure parameters

• Formula: C14 H26 Co2 N2 O14 S2
• Calculated formula: C14 H26 Co2 N2 O14 S2
• SMILES: c1cccc2[n]1[Co]1([OH]CC2)([OH2])(OS(=O)(=O)O[Co]2([n]3ccccc3CC[OH]2)([OH2])(OS(=O)(=O)O1)[OH2])[OH2]
• 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: 7.1858 ± 0.0007 Å
• b: 23.0471 ± 0.0015 Å
• c: 7.5389 ± 0.0007 Å
• α: 90°
• β: 117.044 ± 0.013°
• γ: 90°
• Cell volume: 1112 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0778
• Residual factor for significantly intense reflections: 0.0745
• Weighted residual factors for significantly intense reflections: 0.1707
• Weighted residual factors for all reflections included in the refinement: 0.1723
• Goodness-of-fit parameter for all reflections included in the refinement: 1.257
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No