Information card for entry 7124009

Structure parameters

• Formula: C80 H83.6 Co4 N25 O36.4
• Calculated formula: C80 H81.6 Co4 N21 O29.4
• Title of publication: NO sorption, in-crystal nitrite and nitrate production with arylamine oxidation in gas‒solid single crystal to single crystal reactions
• Authors of publication: Møller, Mads Sondrup; Haag, Alexander; McKee, Vickie; McKenzie, Christine J.
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 10.2477 ± 0.0006 Å
• b: 11.0788 ± 0.0005 Å
• c: 20.5444 ± 0.0008 Å
• α: 93.154 ± 0.003°
• β: 98.663 ± 0.004°
• γ: 90.411 ± 0.004°
• Cell volume: 2302.07 ± 0.19 ų
• Cell temperature: 100 ± 0.1 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: 0.0964
• Residual factor for significantly intense reflections: 0.0751
• Weighted residual factors for significantly intense reflections: 0.1959
• Weighted residual factors for all reflections included in the refinement: 0.2097
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No