Information card for entry 4312472

Structure parameters

• Formula: C15 H25 Co N4 O4
• Calculated formula: C15 H25 Co N4 O4
• SMILES: [Co]1234(N5C(=O)CC(=O)N3CC[NH]2CCC[NH]1CC5)[O]=C(C)C=C(O4)C
• Title of publication: Chemistry of Constrained Dioxocyclam Ligands with Co(III): Unusual Examples of C-H and C-N Bond Cleavage
• Authors of publication: Chuanjiang Hu; Robert M. Chin; Thoi D. Nguyen; Khoi T. Nguyen; Paul S. Wagenknecht; Lawrence C. Nathan
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 7602 - 7607
• a: 8.0073 ± 0.0015 Å
• b: 8.4241 ± 0.001 Å
• c: 12.751 ± 0.002 Å
• α: 87.09 ± 0.008°
• β: 87.594 ± 0.011°
• γ: 76.258 ± 0.01°
• Cell volume: 834 ± 0.2 ų
• Cell temperature: 297 K
• Ambient diffraction temperature: 297 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 significantly intense reflections: 0.0416
• Weighted residual factors for all reflections included in the refinement: 0.0997
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No