Information card for entry 7700916

Structure parameters

• Formula: C23 H13 Cl N5 O4 Re
• Calculated formula: C23 H13 Cl N5 O4 Re
• Title of publication: Optimization of aggregation-induced phosphorescence enhancement in mononuclear tricarbonyl rhenium(i) complexes: the influence of steric hindrance and isomerism.
• Authors of publication: Wang, Jinhui; Poirot, Alexandre; Delavaux-Nicot, Béatrice; Wolff, Mariusz; Mallet-Ladeira, Sonia; Calupitan, Jan Patrick; Allain, Clémence; Benoist, Eric; Fery-Forgues, Suzanne
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 42
• Pages of publication: 15906 - 15916
• a: 8.0086 ± 0.0003 Å
• b: 10.5904 ± 0.0004 Å
• c: 25.9678 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2202.44 ± 0.14 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0525
• Residual factor for significantly intense reflections: 0.0281
• Weighted residual factors for significantly intense reflections: 0.0391
• Weighted residual factors for all reflections included in the refinement: 0.0441
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No