Information card for entry 4310142

Structure parameters

• Formula: C62 H98 Co2 N12 O24 Rh2
• Calculated formula: C62 H98 Co2 N12 O24 Rh2
• SMILES: [C@]1(C)(C(=O)N2C(C)(C)C[N]34C[C@@](OC)(C)C(=O)N5C(C)(C)C[N]6(C1)Cc1[n](c(ccc1)C3)[Co]2456C#[N][Rh]1234[O]=C(C)O[Rh]4([N]#C[Co]4567N8C(=O)[C@@](C)(OC)C[N]96CC(N5C(=O)[C@@](C[N]4(CC8(C)C)Cc4[n]7c(C9)ccc4)(OC)C)(C)C)([O]=C(O2)C)(OC(=[O]3)C)[O]=C(O1)C)OC.O.CO.O.O.O.CO.O.O
• 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: 39.481 ± 0.008 Å
• b: 39.481 ± 0.008 Å
• c: 14.574 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 19674 ± 8 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 6
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.1157
• Residual factor for significantly intense reflections: 0.0715
• Weighted residual factors for significantly intense reflections: 0.1885
• Weighted residual factors for all reflections included in the refinement: 0.2167
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No