Information card for entry 7715915

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 monocrystal destruction.
• Authors of publication: Bubnov, Michael P.; Zolotukhin, Alexey A.; Fukin, Georgy K.; Rumyantcev, Roman V.; Bogomyakov, Artem S.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 21
• Pages of publication: 9151 - 9160
• a: 10.7426 ± 0.0003 Å
• b: 15.6134 ± 0.0004 Å
• c: 27.0073 ± 0.0007 Å
• α: 90°
• β: 100.807 ± 0.002°
• γ: 90°
• Cell volume: 4449.6 ± 0.2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0752
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for significantly intense reflections: 0.0895
• Weighted residual factors for all reflections included in the refinement: 0.0989
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No