Information card for entry 7703599

Structure parameters

• Formula: C57 H61 Cl N5 O3 Re
• Calculated formula: C57 H61 Cl N5 O3 Re
• Title of publication: Photoluminescence enhancement of Re(i) carbonyl complexes bearing D-A and D-π-A ligands.
• Authors of publication: Maroń, Anna M; Szlapa-Kula, Agata; Matussek, Marek; Kruszynski, Rafal; Siwy, Mariola; Janeczek, Henryk; Grzelak, Justyna; Maćkowski, Sebastian; Schab-Balcerzak, Ewa; Machura, Barbara
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 14
• Pages of publication: 4441 - 4453
• a: 16.1302 ± 0.0004 Å
• b: 17.213 ± 0.0005 Å
• c: 19.109 ± 0.0005 Å
• α: 90°
• β: 103.268 ± 0.003°
• γ: 90°
• Cell volume: 5164 ± 0.2 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0689
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for significantly intense reflections: 0.0859
• Weighted residual factors for all reflections included in the refinement: 0.0927
• Goodness-of-fit parameter for all reflections included in the refinement: 1.147
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No