Information card for entry 2241600

Structure parameters

• Chemical name: Bis{bis(azido-κ<i>N</i>)bis[bis(pyridin-2-yl-κ<i>N</i>)amine]cobalt(III)} sulfate dihydrate
• Formula: C40 H40 Co2 N24 O6 S
• Calculated formula: C40 H40 Co2 N24 O6 S
• SMILES: c1c[n]2[Co]3([n]4ccccc4Nc4[n]3cccc4)(N=N#N)(N=N#N)[n]3ccccc3Nc2cc1.O=S(=O)([O-])[O-].O.c1cccc2[n]1[Co]1([n]3c(cccc3)N2)([n]2ccccc2Nc2[n]1cccc2)(N=N#N)N=N#N.O
• Title of publication: Bis{bis(azido-κ<i>N</i>)bis[bis(pyridin-2-yl-κ<i>N</i>)amine]cobalt(III)} sulfate dihydrate
• Authors of publication: Setifi, Fatima; Knaust, Jacqueline M.; Setifi, Zouaoui; Touzani, Rachid
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2016
• Journal volume: 72
• Journal issue: 4
• Pages of publication: 470 - 476
• a: 19.9014 ± 0.0004 Å
• b: 8.7044 ± 0.0002 Å
• c: 27.1181 ± 0.0005 Å
• α: 90°
• β: 90.753 ± 0.001°
• γ: 90°
• Cell volume: 4697.26 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0989
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for significantly intense reflections: 0.0818
• Weighted residual factors for all reflections included in the refinement: 0.0939
• Goodness-of-fit parameter for all reflections included in the refinement: 0.901
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes