Information card for entry 7236219

Structure parameters

• Formula: C24 H14 Br Cl N3 O3 Re
• Calculated formula: C24 H14 Br Cl N3 O3 Re
• Title of publication: Synthesis, photophysical properties and application in organic light emitting devices of rhenium(i) carbonyls incorporating functionalized 2,2′:6′,2′′-terpyridines
• Authors of publication: Klemens, Tomasz; Świtlicka-Olszewska, Anna; Machura, Barbara; Grucela, Marzena; Janeczek, Henryk; Schab-Balcerzak, Ewa; Szlapa, Agata; Kula, Slawomir; Krompiec, Stanisław; Smolarek, Karolina; Kowalska, Dorota; Mackowski, Sebastian; Erfurt, Karol; Lodowski, Piotr
• Journal of publication: RSC Advances
• Year of publication: 2016
• Journal volume: 6
• Journal issue: 61
• Pages of publication: 56335
• a: 9.4203 ± 0.0006 Å
• b: 20.6584 ± 0.0008 Å
• c: 11.8992 ± 0.0007 Å
• α: 90°
• β: 104.218 ± 0.006°
• γ: 90°
• Cell volume: 2244.7 ± 0.2 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0581
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.0971
• Weighted residual factors for all reflections included in the refinement: 0.1036
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No