Information card for entry 7700915

Structure parameters

• Formula: C27 H21 Cl N5 O4 Re
• Calculated formula: C27 H21 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: 12.1819 ± 0.0009 Å
• b: 13.8261 ± 0.001 Å
• c: 20.0905 ± 0.0014 Å
• α: 71.646 ± 0.004°
• β: 75.37 ± 0.004°
• γ: 85.803 ± 0.004°
• Cell volume: 3107.5 ± 0.4 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1065
• Residual factor for significantly intense reflections: 0.0642
• Weighted residual factors for significantly intense reflections: 0.1951
• Weighted residual factors for all reflections included in the refinement: 0.2481
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No