Information card for entry 2214351

Structure parameters

• Chemical name: 3-[2-(1,3-Dioxo-2,3-dihydro-1H-isoindol-2-yl)ethyl] 5-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
• Formula: C28 H28 Co N4 O16 S2
• Calculated formula: C28 H28 Co N4 O16 S2
• SMILES: c1c(ccc(c1)N(=O)=O)S(=O)(=O)CC(=O)[O-].c1(ccc(cc1)N(=O)=O)S(=O)(=O)CC(=O)O[Co]1([n]2cccc3ccc4ccc[n]1c4c23)([OH2])([OH2])[OH2].O
• Title of publication: Triaqua[(4-nitrophenylsulfonyl)acetato-κ<i>O</i>](1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')cobalt(II) (4-nitrophenylsulfonyl)acetate monohydrate
• Authors of publication: Hou, Yan-Jun; Yu, Ying-Hui; Sun, Zhi-Zhong; Li, Bai-Yan; Hou, Guang-Feng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 7
• Pages of publication: m1884 - m1884
• a: 7.571 ± 0.0012 Å
• b: 15.75 ± 0.004 Å
• c: 27.403 ± 0.005 Å
• α: 90°
• β: 96.76 ± 0.02°
• γ: 90°
• Cell volume: 3244.9 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0544
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.0869
• Weighted residual factors for all reflections included in the refinement: 0.0907
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes