Information card for entry 1501473

Structure parameters

• Formula: C45 H35 F3 N4 O7 S Zn
• Calculated formula: C45 H35 F3 N4 O7 S Zn
• SMILES: [Zn]123(OC(=O)c4ccccc4OC(=O)c4ccccc4)[n]4ccccc4C[N]1(Cc1[n]2c(ccc1)c1ccccc1)Cc1[n]3c(ccc1)c1ccccc1.FC(F)(F)S(=O)(=O)[O-]
• Title of publication: Photochemically-induced dioxygenase-type CO-release reactivity of Group 12 metal flavonolate complexes
• Authors of publication: Katarzyna Grubel; Brynna J. Laughlin; Thora R. Maltais; Rhett C. Smith; Atta M. Arif; Lisa M. Berreau
• Journal of publication: Chemical Communications
• Year of publication: 2011
• Journal volume: 47
• Journal issue: 37
• Pages of publication: 10431 - 10433
• a: 10.1785 ± 0.0002 Å
• b: 16.3337 ± 0.0005 Å
• c: 24.162 ± 0.0005 Å
• α: 90°
• β: 91.037 ± 0.0014°
• γ: 90°
• Cell volume: 4016.34 ± 0.17 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0829
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.0883
• Weighted residual factors for all reflections included in the refinement: 0.1034
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No