Information card for entry 7125655

Structure parameters

• Common name: Gross191b (Pinky)
• Formula: C207 H58 Cl6 F80 N20 O16 Re4
• Calculated formula: C207 H58 Cl6 F80 N20 O16 Re4
• 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: 19.63 ± 0.002 Å
• b: 15.653 ± 0.002 Å
• c: 32.561 ± 0.004 Å
• α: 90°
• β: 91.963 ± 0.004°
• γ: 90°
• Cell volume: 9999 ± 2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 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: 0.2072
• Residual factor for significantly intense reflections: 0.0774
• Weighted residual factors for significantly intense reflections: 0.1478
• Weighted residual factors for all reflections included in the refinement: 0.1836
• Goodness-of-fit parameter for all reflections included in the refinement: 0.925
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No