Information card for entry 7131031

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: 12.9023 ± 0.0008 Å
• b: 10.7957 ± 0.0006 Å
• c: 9.8304 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1369.27 ± 0.14 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 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: 0.1046
• Residual factor for significantly intense reflections: 0.0897
• Weighted residual factors for significantly intense reflections: 0.1898
• Weighted residual factors for all reflections included in the refinement: 0.2032
• Goodness-of-fit parameter for significantly intense reflections: 2.9
• Goodness-of-fit parameter for all reflections included in the refinement: 2.76
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No