Information card for entry 4073089

Structure parameters

• Formula: C29 H25 Cl4 F6 N6 O4 P Re
• Calculated formula: C29 H25 Cl4 F6 N6 O4 P Re
• SMILES: [Re]1([n]2cccc3c2c2[n]1cccc2c1ncc(nc31)C(=O)NCCCC)([n]1ccccc1)(C#[O])(C#[O])C#[O].C(Cl)Cl.C(Cl)Cl.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Luminescent Tricarbonylrhenium(I) Dipyridoquinoxaline Indole Complexes as Sensitive Probes for Indole-Binding Proteins
• Authors of publication: Lo, Kenneth Kam-Wing; Sze, Ka-Shing; Tsang, Keith Hing-Kit; Zhu, Nianyong
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 14
• Pages of publication: 3440
• a: 10.632 ± 0.002 Å
• b: 13.536 ± 0.003 Å
• c: 25.59 ± 0.005 Å
• α: 90°
• β: 90 ± 0.03°
• γ: 90°
• Cell volume: 3682.8 ± 1.3 ų
• Cell temperature: 253 ± 2 K
• Ambient diffraction temperature: 253 ± 2 K
• Number of distinct elements: 8
• 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: 0.0863
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.1079
• Weighted residual factors for all reflections included in the refinement: 0.1177
• Goodness-of-fit parameter for all reflections included in the refinement: 0.882
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No