Information card for entry 7706341

Structure parameters

• Formula: C43 H29 Cl3 F3 N5 O7 P Re S
• Calculated formula: C43 H29 Cl3 F3 N5 O7 P Re S
• Title of publication: Efficient photorelease of carbon monoxide from a luminescent tricarbonyl rhenium(I) complex incorporating pyridyl-1,2,4-triazole and phosphine ligands.
• Authors of publication: Hernández Mejías, Ángel D; Poirot, Alexandre; Rmili, Meriem; Leygue, Nadine; Wolff, Mariusz; Saffon-Merceron, Nathalie; Benoist, Eric; Fery-Forgues, Suzanne
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 4
• Pages of publication: 1313 - 1323
• a: 12.9001 ± 0.0009 Å
• b: 14.129 ± 0.0009 Å
• c: 14.1372 ± 0.001 Å
• α: 68.331 ± 0.002°
• β: 77.247 ± 0.002°
• γ: 71.348 ± 0.002°
• Cell volume: 2253.4 ± 0.3 ų
• Cell temperature: 253 ± 2 K
• Ambient diffraction temperature: 253 ± 2 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.073
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.0878
• Weighted residual factors for all reflections included in the refinement: 0.1017
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No