Information card for entry 7113677

Structure parameters

• Formula: C36 H31 F3 N5 O7 Re S
• Calculated formula: C36 H31 F3 N5 O7 Re S
• SMILES: [Re]1([n]2cc(c(c3c2c2[n]1cc(c(c2cc3)C)C)C)C)([n]1cc(ccc1)C(=O)NCCc1c[nH]c2c1cccc2)(C#[O])(C#[O])C#[O].S(=O)(=O)([O-])C(F)(F)F
• Title of publication: Luminescent rhenium(I) diimine indole conjugates ‒ photophysical, electrochemical and protein-binding properties
• Authors of publication: Lo, Kenneth Kam-Wing; Tsang, Keith Hing-Kit; Hui, Wai-Ki; Zhu, Nianyong
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2003
• Journal issue: 21
• Pages of publication: 2704 - 2705
• a: 11.67 ± 0.002 Å
• b: 9.57 ± 0.002 Å
• c: 32.349 ± 0.007 Å
• α: 90°
• β: 97.33 ± 0.03°
• γ: 90°
• Cell volume: 3583.3 ± 1.3 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: 0.0511
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for significantly intense reflections: 0.0716
• Weighted residual factors for all reflections included in the refinement: 0.0754
• Goodness-of-fit parameter for all reflections included in the refinement: 0.815
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7104865
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No