Information card for entry 7018068

Structure parameters

• Formula: C26 H23 Br N6 O4 Re
• Calculated formula: C26 H23 Br N6 O4 Re
• SMILES: c12[n](c3ccccc3cc2)[Re]2([n]3c(ccc4ccccc34)C[N]2(CCN=N#N)C1)(C#[O])(C#[O])C#[O].OC.[Br-]
• Title of publication: Synthesis, characterisation and bioimaging of a fluorescent rhenium-containing PNA bioconjugate.
• Authors of publication: Gasser, Gilles; Pinto, Antonio; Neumann, Sebastian; Sosniak, Anna M.; Seitz, Michael; Merz, Klaus; Heumann, Rolf; Metzler-Nolte, Nils
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 8
• Pages of publication: 2304 - 2313
• a: 9.707 ± 0.005 Å
• b: 10.899 ± 0.005 Å
• c: 12.796 ± 0.006 Å
• α: 74.586 ± 0.009°
• β: 85.973 ± 0.01°
• γ: 86.817 ± 0.009°
• Cell volume: 1300.9 ± 1.1 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.064
• Residual factor for significantly intense reflections: 0.0632
• Weighted residual factors for significantly intense reflections: 0.1634
• Weighted residual factors for all reflections included in the refinement: 0.1641
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No