Information card for entry 2019196

Structure parameters

• Chemical name: <i>catena</i>-Poly[[bis{4-[(pyrimidin-2-ylazanidyl)sulfonyl]aniline}cobalt(II)]-bis[μ-1,3-bis(pyridin-4-yl)propane]]
• Formula: C33 H32 Co N10 O4 S2
• Calculated formula: C33 H32 Co N10 O4 S2
• SMILES: [Co]12(N(S(=O)(=O)c3ccc(N)cc3)c3nccc[n]13)(N(S(=O)(=O)c1ccc(N)cc1)c1[n]2cccn1)([n]1ccc(cc1)CCCc1ccncc1)[n]1ccc(CCCc2cc[n]([Co]34(N(S(=O)(=O)c5ccc(N)cc5)c5nccc[n]35)N(S(=O)(=O)c3ccc(N)cc3)c3[n]4cccn3)cc2)cc1
• Title of publication: Electrochemical properties of a cobalt(II) complex with sulfadiazine and 1,3-bis(pyridin-4-yl)propane
• Authors of publication: Zhao, Ya-Yun; Zhao, Xiu-Hua; Zhang, Jie; Pan, Jian-Guo; Li, Xing
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 10
• Pages of publication: 1096 - 1099
• a: 9.5651 ± 0.001 Å
• b: 16.6002 ± 0.0017 Å
• c: 11.3351 ± 0.0012 Å
• α: 90°
• β: 108.4 ± 0.001°
• γ: 90°
• Cell volume: 1707.8 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.041
• Residual factor for significantly intense reflections: 0.0338
• Weighted residual factors for significantly intense reflections: 0.0783
• Weighted residual factors for all reflections included in the refinement: 0.0826
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No