Information card for entry 7119238

Structure parameters

• Formula: C34 H31 Br N3 O7 Re
• Calculated formula: C34 H31 Br N3 O7 Re
• SMILES: [Re]12([n]3c4ccccc4c4ccccc4c3C[N]2(Cc2[n]1cccc2)Cc1ccc(cc1)C(=O)OC)(C#[O])(C#[O])C#[O].[Br-].OC.OC
• Title of publication: Asymmetric rhenium tricarbonyl complexes show superior luminescence properties in live cell imaging.
• Authors of publication: Raszeja, Lukasz J.; Siegmund, Daniel; Cordes, Anna L.; Güldenhaupt, Jörn; Gerwert, Klaus; Hahn, Stephan; Metzler-Nolte, Nils
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2017
• Journal volume: 53
• Journal issue: 5
• Pages of publication: 905 - 908
• a: 14.2253 ± 0.0004 Å
• b: 13.4844 ± 0.0003 Å
• c: 19.7773 ± 0.0004 Å
• α: 90°
• β: 109.927 ± 0.003°
• γ: 90°
• Cell volume: 3566.54 ± 0.16 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 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: 0.0403
• Residual factor for significantly intense reflections: 0.0322
• Weighted residual factors for significantly intense reflections: 0.0788
• Weighted residual factors for all reflections included in the refinement: 0.0834
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No