Information card for entry 4343427

Structure parameters

• Formula: C47 H55 Co N4 O4
• Calculated formula: C47 H55 Co N4 O4
• SMILES: [Co]123(Oc4c(O1)c(ccc4C(C)(C)C)C(C)(C)C)([N](=NC(=NN3c1ccccc1)c1ccccc1)c1ccccc1)Oc1c(O2)c(ccc1C(C)(C)C)C(C)(C)C
• Title of publication: Heteroligand o-Semiquinonato-Formazanato Cobalt Complexes.
• Authors of publication: Protasenko, Natalia A.; Poddel'sky, Andrey I.; Bogomyakov, Artem S.; Fukin, Georgy K.; Cherkasov, Vladimir K.
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 13
• Pages of publication: 6078 - 6080
• a: 11.13108 ± 0.00018 Å
• b: 12.45679 ± 0.0002 Å
• c: 16.193 ± 0.0003 Å
• α: 81.2978 ± 0.0013°
• β: 80.6453 ± 0.0013°
• γ: 73.6151 ± 0.0014°
• Cell volume: 2112.22 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0362
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.0823
• Weighted residual factors for all reflections included in the refinement: 0.0847
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No