Information card for entry 7236269

Structure parameters

• Formula: C18 H12 Cl3 N2 O3 Re
• Calculated formula: C18 H12 Cl3 N2 O3 Re
• Title of publication: Rhenium(i) complexes with phenanthrolines bearing electron-withdrawing Cl and electron-donating CH3 substituents ‒ synthesis, photophysical, thermal, and electrochemical properties with electroluminescence ability
• Authors of publication: Świtlicka, Anna; Klemens, Tomasz; Machura, Barbara; Schab-Balcerzak, Ewa; Laba, Katarzyna; Lapkowski, Mieczyslaw; Grucela, Marzena; Nycz, Jacek; Szala, Marcin; Kania, Magdalena
• Journal of publication: RSC Advances
• Year of publication: 2016
• Journal volume: 6
• Journal issue: 114
• Pages of publication: 112908
• a: 10.8752 ± 0.0005 Å
• b: 32.4799 ± 0.0013 Å
• c: 10.9891 ± 0.0004 Å
• α: 90°
• β: 98.199 ± 0.003°
• γ: 90°
• Cell volume: 3842 ± 0.3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0631
• Residual factor for significantly intense reflections: 0.0494
• Weighted residual factors for significantly intense reflections: 0.0965
• Weighted residual factors for all reflections included in the refinement: 0.1008
• Goodness-of-fit parameter for all reflections included in the refinement: 1.115
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No