Information card for entry 7228096

Structure parameters

• Common name: usu223
• Formula: C29 H19 Cl N2 O7 Zn
• Calculated formula: C29 H19 Cl N2 O7 Zn
• Title of publication: Properties of a flavonol-based photoCORM in aqueous buffered solutions: influence of metal ions, surfactants and proteins on visible light-induced CO release
• Authors of publication: Popova, Marina; Soboleva, Tatiana; Arif, Atta M.; Berreau, Lisa M.
• Journal of publication: RSC Adv.
• Year of publication: 2017
• Journal volume: 7
• Journal issue: 36
• Pages of publication: 21997
• a: 8.2518 ± 0.0002 Å
• b: 14.8377 ± 0.0004 Å
• c: 20.0844 ± 0.0006 Å
• α: 90°
• β: 92.219 ± 0.002°
• γ: 90°
• Cell volume: 2457.24 ± 0.12 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0374
• Residual factor for significantly intense reflections: 0.0318
• Weighted residual factors for significantly intense reflections: 0.0865
• Weighted residual factors for all reflections included in the refinement: 0.0897
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No