Information card for entry 7129087

Structure parameters

• Formula: C41 H27 Cl2 F12 N4 O7 Re S2
• Calculated formula: C41 H27 Cl2 F12 N4 O7 Re S2
• SMILES: [Re]1([n]2cc(c(c3ccc4c(c(c[n]1c4c23)C)C)C)C)([n]1cccc(c1)C(=O)NCCSc1c(F)c(F)c(c(F)c1F)c1c(F)c(F)c(F)c(F)c1F)(C#[O])(C#[O])C#[O].S(=O)(=O)([O-])C(F)(F)F.C(Cl)Cl
• Title of publication: Luminescent rhenium(I) perfluorobiphenyl complexes as site-specific labels for peptides to afford photofunctional bioconjugates.
• Authors of publication: Leung, Peter Kam-Keung; Lee, Lawrence Cho-Cheung; Ip, Tiffany Ka-Yan; Liu, Hua-Wei; Yiu, Shek-Man; Lee, Nikki P.; Lo, Kenneth Kam-Wing
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 85
• Pages of publication: 11256 - 11259
• a: 11.2012 ± 0.0004 Å
• b: 15.0828 ± 0.0005 Å
• c: 15.7471 ± 0.0006 Å
• α: 116.793 ± 0.004°
• β: 107.386 ± 0.003°
• γ: 91.672 ± 0.003°
• Cell volume: 2223.96 ± 0.17 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.036
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.0912
• Weighted residual factors for all reflections included in the refinement: 0.0917
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No