Information card for entry 4310140

Structure parameters

• Formula: C31 H50 Co N5 O7
• Calculated formula: C31 H50 Co N5 O7
• SMILES: [Co]1234(OC(=O)C)N5C(=O)[C@](OC)(C)C[N]63CC(N2C(=O)[C@](OC)(C[N]1(CC5(C)C)Cc1[n]4c(C6)ccc1)C)(C)C.C1CCCO1.[Co]1234(OC(=O)C)N5C(=O)[C@@](OC)(C)C[N]63CC(N2C(=O)[C@@](OC)(C[N]1(CC5(C)C)Cc1[n]4c(C6)ccc1)C)(C)C.C1CCCO1
• Title of publication: Synthesis and Properties of Cobalt(III) Complexes of 4-Substituted Pyridine-Capped Dioxocyclams
• Authors of publication: Angela L. Reiff; Eva M. Garcia-Frutos; Jun Mo Gil; Oren P. Anderson; Louis S. Hegedus
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 9162 - 9174
• a: 10.5774 ± 0.0016 Å
• b: 20.901 ± 0.003 Å
• c: 14.663 ± 0.002 Å
• α: 90°
• β: 104.217 ± 0.003°
• γ: 90°
• Cell volume: 3142.4 ± 0.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0526
• Residual factor for significantly intense reflections: 0.0462
• Weighted residual factors for significantly intense reflections: 0.1102
• Weighted residual factors for all reflections included in the refinement: 0.1132
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No