Information card for entry 2241702

Structure parameters

• Chemical name: Bis{4-bromo-2-[(carbamimidamidoimino)methyl]phenolato-κ^3^<i>N</i>,<i>N</i>',<i>O</i>}cobalt(III) nitrate dimethylformamide monosolvate
• Formula: C19 H23 Br2 Co N10 O6
• Calculated formula: C19 H23 Br2 Co N10 O6
• SMILES: [Co]1234(Oc5c(cc(Br)cc5)C=[N]1NC(=[NH]2)N)Oc1c(cc(Br)cc1)C=[N]3NC(=[NH]4)N.N(=O)(=O)[O-].CN(C)C=O
• Title of publication: Crystal structure of bis{4-bromo-2-[(carbamimidamidoimino)methyl]phenolato-κ^3^<i>N</i>,<i>N</i>',<i>O</i>}cobalt(III) nitrate dimethylformamide monosolvate
• Authors of publication: Buvaylo, Elena A.; Kasyanova, Katerina A.; Vassilyeva, Olga Yu.; Skelton, Brian W.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2016
• Journal volume: 72
• Journal issue: 7
• Pages of publication: 907 - 911
• a: 13.5778 ± 0.0003 Å
• b: 9.9492 ± 0.0003 Å
• c: 19.024 ± 0.0004 Å
• α: 90°
• β: 98.302 ± 0.002°
• γ: 90°
• Cell volume: 2542.99 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0623
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.1022
• Weighted residual factors for all reflections included in the refinement: 0.1096
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes