Information card for entry 7131029

Structure parameters

• Formula: C7 H19 Co N6 O6
• Calculated formula: C7 H19 Co N6 O6
• Title of publication: An optically reversible room-temperature solid-state cobalt(iii) photoswitch based on nitro-to-nitrito linkage isomerism
• Authors of publication: Deresz, Krystyna A.; Kamiński, Radosław; Kutniewska, Sylwia E.; Krówczyński, Adam; Schaniel, Dominik; Jarzembska, Katarzyna N.
• Journal of publication: Chemical Communications
• Year of publication: 2022
• Journal volume: 58
• Journal issue: 97
• Pages of publication: 13439 - 13442
• a: 12.7442 ± 0.0006 Å
• b: 10.7342 ± 0.0005 Å
• c: 9.7366 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1331.96 ± 0.1 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0776
• Residual factor for significantly intense reflections: 0.069
• Weighted residual factors for significantly intense reflections: 0.1529
• Weighted residual factors for all reflections included in the refinement: 0.1581
• Goodness-of-fit parameter for significantly intense reflections: 2.36
• Goodness-of-fit parameter for all reflections included in the refinement: 2.25
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No