Information card for entry 4076249

Structure parameters

• Formula: C36 H35 F3 N5 O7 Re S2
• Calculated formula: C36 H35 F3 N5 O7 Re S2
• SMILES: [Re]1([n]2cc(c(c3c2c2[n]1cc(c(c2cc3)C)C)C)C)([n]1ccc(cc1)CNC(=S)Nc1ccccc1)(C#[O])(C#[O])C#[O].S(=O)(=O)([O-])C(F)(F)F.O=C(C)C
• Title of publication: Electrochemical, Photophysical, and Anion-Binding Properties of a Luminescent Rhenium(I) Polypyridine Anthraquinone Complex with a Thiourea Receptor
• Authors of publication: Lo, Kenneth Kam-Wing; Lau, Jason Shing-Yip; Fong, Vivian Wai-Yin; Zhu, Nianyong
• Journal of publication: Organometallics
• Year of publication: 2004
• Journal volume: 23
• Journal issue: 5
• Pages of publication: 1098
• a: 10.688 ± 0.002 Å
• b: 23.535 ± 0.005 Å
• c: 15.62 ± 0.003 Å
• α: 90°
• β: 104.31 ± 0.03°
• γ: 90°
• Cell volume: 3807.2 ± 1.4 ų
• Cell temperature: 253 ± 2 K
• Ambient diffraction temperature: 253 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0526
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.092
• Weighted residual factors for all reflections included in the refinement: 0.0972
• Goodness-of-fit parameter for all reflections included in the refinement: 0.961
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No