Information card for entry 7125656

Structure parameters

• Common name: Gross254b (Pinky)
• Formula: C31 H12 F12 N5 O3 Re
• Calculated formula: C31 H12 F12 N5 O3 Re
• Title of publication: Rhenium(i) sapphyrins: remarkable difference between the C₆F₅ and CF₃-substituted derivatives.
• Authors of publication: Yadav, Pinky; Fridman, Natalia; Mizrahi, Amir; Gross, Zeev
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 6
• Pages of publication: 980 - 983
• a: 11.9191 ± 0.001 Å
• b: 13.1221 ± 0.0011 Å
• c: 19.0424 ± 0.0017 Å
• α: 90°
• β: 101.594 ± 0.002°
• γ: 90°
• Cell volume: 2917.5 ± 0.4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 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: 0.0397
• Residual factor for significantly intense reflections: 0.0321
• Weighted residual factors for significantly intense reflections: 0.0745
• Weighted residual factors for all reflections included in the refinement: 0.0775
• Goodness-of-fit parameter for all reflections included in the refinement: 0.985
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No