Information card for entry 4321092

Structure parameters

• Formula: C38 H42 F6 N2 O5 P3 Re
• Calculated formula: C38 H42 F6 N2 O5 P3 Re
• SMILES: [Re]1([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](OCC)(OCC)OCC)([n]2ccc(cc2c2[n]1ccc(c2)C)C)(C#[O])C#[O].[P](F)(F)(F)(F)(F)[F-]
• Title of publication: New Synthetic Routes to Biscarbonylbipyridinerhenium(I) Complexes cis,trans-[Re(X2bpy)(CO)2(PR3)(Y)]n+ (X2bpy = 4,4'-X2-2,2'-bipyridine) via Photochemical Ligand Substitution Reactions, and Their Photophysical and Electrochemical Properties
• Authors of publication: Kazuhide Koike; Junji Tanabe; Shigeki Toyama; Hideaki Tsubaki; Kazuhiko Sakamoto; Jeremy R. Westwell; Frank P. A. Johnson; Hisao Hori; Hideki Saitoh; Osamu Ishitani
• Journal of publication: Inorganic Chemistry
• Year of publication: 2000
• Journal volume: 39
• Pages of publication: 2777 - 2783
• a: 11.592 ± 0.001 Å
• b: 30.953 ± 0.004 Å
• c: 11.799 ± 0.002 Å
• α: 90°
• β: 94.312 ± 0.007°
• γ: 90°
• Cell volume: 4221.6 ± 1 ų
• Cell temperature: 298 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for significantly intense reflections: 0.066
• Weighted residual factors for significantly intense reflections: 0.058
• Goodness-of-fit parameter for significantly intense reflections: 2.813
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoK-alpha
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No