Information card for entry 1516437

Structure parameters

• Formula: C33 H34 Br N2 O10 Re
• Calculated formula: C33 H34 Br N2 O10 Re
• SMILES: C([Re]1(C#[O])(C#[O])(Br)[n]2ccc(cc2c2cc(cc[n]12)COCCOCCOCCOCCOc1cc2c(cc1)c(cc(=O)o2)C)C)#[O]
• Title of publication: Synthesis, Characterization, Ion-Binding Properties, and Fluorescence Resonance Energy Transfer Behavior of Rhenium(I) Complexes Containing a Coumarin-Appended 2,2′-Bipyridine†
• Authors of publication: Yam, Vivian Wing-Wah; Song, Hai-Ou; Chan, Steve Tak-Wah; Zhu, Nianyong; Tao, Chi-Hang; Wong, Keith Man-Chung; Wu, Li-Xin
• Journal of publication: The Journal of Physical Chemistry C
• Year of publication: 2009
• Journal volume: 113
• Journal issue: 27
• Pages of publication: 11674
• a: 12.019 ± 0.002 Å
• b: 12.068 ± 0.002 Å
• c: 13.281 ± 0.002 Å
• α: 109.45 ± 0.03°
• β: 105.58 ± 0.03°
• γ: 93.4 ± 0.03°
• Cell volume: 1726.1 ± 0.7 ų
• Cell temperature: 301 ± 2 K
• Ambient diffraction temperature: 301 ± 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: 0.0406
• Residual factor for significantly intense reflections: 0.028
• Weighted residual factors for significantly intense reflections: 0.0728
• Weighted residual factors for all reflections included in the refinement: 0.0834
• Goodness-of-fit parameter for all reflections included in the refinement: 0.525
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No