Information card for entry 7715918

Structure parameters

• Formula: C43 H62 Co0.11 N3 Ni0.89 O5
• Calculated formula: C43 H62 Co0.1111 N3 Ni0.8889 O5
• Title of publication: Valence tautomeric interconversion of bis-dioxolene cobalt complex with imino-pyridine functionalized by TEMPO moiety in solid solutions with isostructural nickel analogue. Phase transitions and monocrystals destruction
• Authors of publication: Bubnov, Michael; Zolotukhin, Alexey; Fukin, Georgii K.; Rumyantcev, Roman V.; Bogomyakov, Artem
• Journal of publication: Dalton Transactions
• Year of publication: 2024
• a: 10.70656 ± 0.00013 Å
• b: 15.45339 ± 0.00016 Å
• c: 26.9829 ± 0.0004 Å
• α: 90°
• β: 100.621 ± 0.0012°
• γ: 90°
• Cell volume: 4387.9 ± 0.1 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 6
• 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: 0.0742
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.09
• Weighted residual factors for all reflections included in the refinement: 0.0994
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No