Information card for entry 7119236

Structure parameters

• Formula: C41 H32 Br N3 O6 Re
• Calculated formula: C41 H32 Br N3 O6 Re
• SMILES: [Re]12([n]3c4c(cccc4)c4ccccc4c3C[N]1(Cc1[n]2c2ccccc2c2ccccc12)Cc1ccc(cc1)C(=O)OC)(C#[O])(C#[O])C#[O].[Br-].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: 19.79 ± 0.04 Å
• b: 14.87 ± 0.03 Å
• c: 25.04 ± 0.04 Å
• α: 90°
• β: 100.33 ± 0.03°
• γ: 90°
• Cell volume: 7249 ± 2 ų
• Cell temperature: 446 ± 2 K
• Ambient diffraction temperature: 446 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0476
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for significantly intense reflections: 0.0898
• Weighted residual factors for all reflections included in the refinement: 0.0939
• Goodness-of-fit parameter for all reflections included in the refinement: 1.125
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No