Information card for entry 7232362

Structure parameters

• Formula: C8 H4 O7 Zn2
• Calculated formula: C8 H3.578 O7 Zn2
• Title of publication: A single crystal study of CPO-27 and UTSA-74 for nitric oxide storage and release
• Authors of publication: Henkelis, Susan Elizabeth; Vornholt, Simon Maximilian; Cordes, David Bradford; Slawin, Alexandra; Wheatley, Paul Stewart S.; Morris, Russell
• Journal of publication: CrystEngComm
• Year of publication: 2019
• a: 22.931 ± 0.008 Å
• b: 22.931 ± 0.008 Å
• c: 15.931 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 7255 ± 5 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93.15 K
• Number of distinct elements: 4
• Space group number: 161
• Hermann-Mauguin space group symbol: R 3 c
• Hall space group symbol: R 3 -2"c
• Residual factor for all reflections: 0.0456
• Residual factor for significantly intense reflections: 0.0426
• Weighted residual factors for significantly intense reflections: 0.136
• Weighted residual factors for all reflections included in the refinement: 0.1386
• Goodness-of-fit parameter for all reflections included in the refinement: 1.181
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No