Information card for entry 7714215

Structure parameters

• Formula: C12 H13 F6 N P Re
• Calculated formula: C12 H13.002 F6 N P Re
• Title of publication: In vivo and in vitro studies of [M(η6-pseudoerlotinib)2]+ sandwich complexes (M = Re, 99mTc)
• Authors of publication: Battistin, Federica; Fernandes, Célia; Raposinho, Paula D.; Blacque, Olivier; Paulo, António Rocha; Alberto, Roger
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 8.0918 ± 0.0001 Å
• b: 12.2476 ± 0.0002 Å
• c: 7.0155 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 695.272 ± 0.017 ų
• Cell temperature: 160 ± 1 K
• Ambient diffraction temperature: 160 ± 1 K
• Number of distinct elements: 6
• Space group number: 71
• Hermann-Mauguin space group symbol: I m m m
• Hall space group symbol: -I 2 2
• Residual factor for all reflections: 0.0162
• Residual factor for significantly intense reflections: 0.0162
• Weighted residual factors for significantly intense reflections: 0.0396
• Weighted residual factors for all reflections included in the refinement: 0.0396
• Goodness-of-fit parameter for all reflections included in the refinement: 1.172
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No