Information card for entry 7710099

Structure parameters

• Formula: C19 H12 F2 N2
• Calculated formula: C19 H12 F2 N2
• Title of publication: M-CPOnes: transition metal complexes with cyclopropenone-based ligands for light-triggered carbon monoxide release
• Authors of publication: Lehr, Marc; Neumann, Tjorge; Näther, Christian; McConnell, Anna J.
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 6.919 ± 0.0001 Å
• b: 8.1308 ± 0.0001 Å
• c: 13.4122 ± 0.0002 Å
• α: 82.284 ± 0.001°
• β: 84.268 ± 0.001°
• γ: 77.219 ± 0.001°
• Cell volume: 727.248 ± 0.018 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0404
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.1142
• Weighted residual factors for all reflections included in the refinement: 0.1156
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No