Information card for entry 2225951

Structure parameters

• Chemical name: <i>trans</i>-Bis[4-amino-<i>N</i>-(pyrimidin-2- yl)benzenesulfonamidato]dipyridinecobalt(II) hemihydrate
• Formula: C30 H29 Co N10 O4.5 S2
• Calculated formula: C30 H29 Co N10 O4.5 S2
• SMILES: [Co]12([n]3c(nccc3)N1S(=O)(=O)c1ccc(N)cc1)([n]1c(nccc1)N2S(=O)(=O)c1ccc(N)cc1)([n]1ccccc1)[n]1ccccc1.O
• Title of publication: <i>trans</i>-Bis[4-amino-<i>N</i>-(pyrimidin-2-yl)benzenesulfonamidato]dipyridinecobalt(II) hemihydrate
• Authors of publication: Wang, Yan-Fei; Zou, Hong-Li; Luo, Xu-Jian; Chen, Zhen-Feng; Liang, Hong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 5
• Pages of publication: m548
• a: 39.618 ± 0.004 Å
• b: 11.2407 ± 0.0009 Å
• c: 14.5673 ± 0.0013 Å
• α: 90°
• β: 104.648 ± 0.002°
• γ: 90°
• Cell volume: 6276.5 ± 1 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0718
• Residual factor for significantly intense reflections: 0.0549
• Weighted residual factors for significantly intense reflections: 0.0974
• Weighted residual factors for all reflections included in the refinement: 0.1034
• Goodness-of-fit parameter for all reflections included in the refinement: 1.178
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes