Information card for entry 2224393

Structure parameters

• Chemical name: Tetraaquabis(pyridine-κ<i>N</i>)cobalt(II) bis[4-amino-<i>N</i>-(6-chloropyridazin-3-yl)benzenesulfonamidate]
• Formula: C30 H34 Cl2 Co N10 O8 S2
• Calculated formula: C30 H34 Cl2 Co N10 O8 S2
• SMILES: c1(ccc(N)cc1)S(=O)([O-])=Nc1nnc(cc1)Cl.[Co]([n]1ccccc1)([n]1ccccc1)([OH2])([OH2])([OH2])[OH2].c1(ccc(N)cc1)S(=O)([O-])=Nc1nnc(cc1)Cl
• Title of publication: Tetraaquabis(pyridine-κ<i>N</i>)cobalt(II) bis[4-amino-<i>N</i>-(6-chloropyridazin-3-yl)benzenesulfonamidate]
• Authors of publication: Li, Nan; Zou, Hong-Li; Song, Xiao-Yan; Liu, Yan-Cheng; Chen, Zhen-Feng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 12
• Pages of publication: m1666
• a: 8.5897 ± 0.0012 Å
• b: 25.807 ± 0.003 Å
• c: 8.5338 ± 0.0012 Å
• α: 90°
• β: 101.694 ± 0.003°
• γ: 90°
• Cell volume: 1852.5 ± 0.4 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 7
• 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: 0.0745
• Residual factor for significantly intense reflections: 0.0535
• Weighted residual factors for significantly intense reflections: 0.0992
• Weighted residual factors for all reflections included in the refinement: 0.1081
• Goodness-of-fit parameter for all reflections included in the refinement: 1.141
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes