Information card for entry 2011702

Structure parameters

• Chemical name: trans-dinitro[2-hydroxo-4-methyl-5,8,12-triazadodec-2-ene-4-imine] cobalt(III)
• Formula: C10 H20 Co N5 O5
• Calculated formula: C10 H20 Co N5 O5
• SMILES: [Co]123([N](=C(C=C(O3)C)C)CC[NH]1CCC[NH2]2)(N(=O)=O)N(=O)=O
• Title of publication: Conformational isomers of neutral <i>trans</i>-dinitrocobalt(III) complexes
• Authors of publication: Chun, Hyungphil; Bernal, Ivan
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 1
• Pages of publication: 33 - 35
• a: 7.923 ± 0.003 Å
• b: 13.105 ± 0.001 Å
• c: 14.0273 ± 0.0013 Å
• α: 90°
• β: 91.908 ± 0.01°
• γ: 90°
• Cell volume: 1455.7 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0501
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for all reflections: 0.1093
• Weighted residual factors for all reflections included in the refinement: 0.1048
• Goodness-of-fit parameter for all reflections: 1.142
• Goodness-of-fit parameter for all reflections included in the refinement: 1.266
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes