Information card for entry 7124008

Structure parameters

• Formula: C87.6 H95 Co4 F31 N18 O11.4 P5
• Calculated formula: C87.6 H95 Co4 F31 N18 O11.4 P5
• 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: 12.582 ± 0.0005 Å
• b: 15.055 ± 0.0007 Å
• c: 16.6109 ± 0.0006 Å
• α: 82.568 ± 0.003°
• β: 82.672 ± 0.003°
• γ: 76.06 ± 0.004°
• Cell volume: 3012.9 ± 0.2 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1262
• Residual factor for significantly intense reflections: 0.1054
• Weighted residual factors for significantly intense reflections: 0.3074
• Weighted residual factors for all reflections included in the refinement: 0.3265
• Goodness-of-fit parameter for all reflections included in the refinement: 1.334
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No