Information card for entry 2233777

Structure parameters

• Chemical name: Bis[4-amino-<i>N</i>-(pyrimidin-2-yl)benzenesulfonamidato](1,10- phenanthroline)nickel(II)
• Formula: C32 H26 N10 Ni O4 S2
• Calculated formula: C32 H26 N10 Ni O4 S2
• SMILES: [Ni]123(N(S(=O)(=O)c4ccc(N)cc4)c4[n]1cccn4)(N(S(=O)(=O)c1ccc(N)cc1)c1[n]2cccn1)[n]1cccc2ccc4ccc[n]3c4c12
• Title of publication: Bis[4-amino-<i>N</i>-(pyrimidin-2-yl)benzenesulfonamidato](1,10-phenanthroline)nickel(II)
• Authors of publication: Hu, Xiu-Feng; Bing, Yue; Li, Xing; Kong, Zu-Ping
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 3
• Pages of publication: m348 - m349
• a: 11.015 ± 0.002 Å
• b: 17.995 ± 0.003 Å
• c: 16.128 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3196.8 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0722
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.0965
• Weighted residual factors for all reflections included in the refinement: 0.1101
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes