Information card for entry 2236153

Structure parameters

• Chemical name: (Ethylenediamine-κ^2^<i>N</i>,<i>N</i>)bis[2-(pyridin-2-yl-κ<i>N</i>)- 1,3-imidazol-1-ido-κ<i>N</i>^1^]cobalt(III) nitrate monohydrate
• Formula: C18 H22 Co N9 O4
• Calculated formula: C18 H22 Co N9 O4
• SMILES: [Co]123(n4c(ncc4)c4[n]1cccc4)(n1c(ncc1)c1[n]2cccc1)[NH2]CC[NH2]3.N(=O)(=O)[O-].O
• Title of publication: (Ethylenediamine-κ^2^<i>N</i>,<i>N</i>)bis[2-(pyridin-2-yl-κ<i>N</i>)-1,3-imidazol-1-ido-κ<i>N</i>^1^]cobalt(III) nitrate monohydrate
• Authors of publication: Feng, Xiu-Ling; Zhang, Yu-Ping
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 9
• Pages of publication: m1155
• a: 8.6669 ± 0.0005 Å
• b: 11.0574 ± 0.0008 Å
• c: 12.5304 ± 0.001 Å
• α: 76.133 ± 0.002°
• β: 75.672 ± 0.002°
• γ: 68.797 ± 0.001°
• Cell volume: 1069.62 ± 0.13 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0519
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for significantly intense reflections: 0.0959
• Weighted residual factors for all reflections included in the refinement: 0.1095
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes