Information card for entry 7708546

Structure parameters

• Formula: C27 H25 Cl4 N4 O3 Re
• Calculated formula: C27 H25 Cl4 N4 O3 Re
• Title of publication: Phenyl-pyta-tricarbonylrhenium(I) complexes: combining a simplified structure and steric hindrance to modulate the photoluminescence properties.
• Authors of publication: Poirot, Alexandre; Vanucci-Bacqué, Corinne; Delavaux-Nicot, Béatrice; Leygue, Nadine; Saffon-Merceron, Nathalie; Alary, Fabienne; Bedos-Belval, Florence; Benoist, Eric; Fery-Forgues, Suzanne
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• a: 16.9598 ± 0.0009 Å
• b: 10.7879 ± 0.0005 Å
• c: 17.1754 ± 0.0008 Å
• α: 90°
• β: 112.354 ± 0.0018°
• γ: 90°
• Cell volume: 2906.3 ± 0.2 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0268
• Residual factor for significantly intense reflections: 0.0239
• Weighted residual factors for significantly intense reflections: 0.0679
• Weighted residual factors for all reflections included in the refinement: 0.07
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No