Information card for entry 2224389

Structure parameters

• Chemical name: <i>trans</i>-Bis[4-amino-<i>N</i>-(pyrimidin-2- yl)benzenesulfonamidato]dipyridinenickel(II) hemihydrate
• Formula: C30 H29 N10 Ni O4.5 S2
• Calculated formula: C30 H29 N10 Ni O4.5 S2
• SMILES: [Ni]12([n]3cccnc3N1S(=O)(=O)c1ccc(N)cc1)([n]1cccnc1N2S(=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]dipyridinenickel(II) hemihydrate
• Authors of publication: Wang, Yan-Fei; Li, Fu-Xing; Peng, Yan; Chen, Zhen-Feng; Liang, Hong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 12
• Pages of publication: m1584
• a: 39.593 ± 0.005 Å
• b: 11.2297 ± 0.0013 Å
• c: 14.5656 ± 0.0018 Å
• α: 90°
• β: 105.463 ± 0.002°
• γ: 90°
• Cell volume: 6241.7 ± 1.3 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: 0.0511
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.0847
• Weighted residual factors for all reflections included in the refinement: 0.0878
• Goodness-of-fit parameter for all reflections included in the refinement: 1.15
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes