Information card for entry 4311394

Structure parameters

• Formula: C22 H16 F6 N4 O5 P Re
• Calculated formula: C22 H16 F6 N4 O5 P Re
• SMILES: [Re]1([n]2ccc(cc2)CC)([n]2cccc3c2c2[n]1cccc2c(N(=O)=O)c3)(C#[O])(C#[O])C#[O].[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Excited-State Dynamics of fac-[ReI(L)(CO)3(phen)]+ and fac-[ReI(L)(CO)3(5-NO2-phen)]+ (L = Imidazole, 4-Ethylpyridine; Phen = 1,10-Phenanthroline) Complexes
• Authors of publication: Michael Busby; Anders Gabrielsson; Pavel Matousek; Michael Towrie; Angel J. Di Bilio; Harry B. Gray; Antonín Vlček
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 4994 - 5002
• a: 17.139 ± 0.008 Å
• b: 11.904 ± 0.006 Å
• c: 12.566 ± 0.006 Å
• α: 90°
• β: 109.43 ± 0.08°
• γ: 90°
• Cell volume: 2418 ± 2 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 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: 0.0738
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for significantly intense reflections: 0.0807
• Weighted residual factors for all reflections included in the refinement: 0.0976
• Goodness-of-fit parameter for all reflections included in the refinement: 0.79
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No