Information card for entry 7714406

Structure parameters

• Formula: C37.5 H28 Cl N2 O2 Rh
• Calculated formula: C37.5 H28 Cl N2 O2 Rh
• Title of publication: Aggregation-induced emission of cyclometalated rhodium(III) and iridium(III) phenylpyridine complexes with ancillary 1,3-diketones
• Authors of publication: Kiseleva, Marina A.; Andrei, Churakov; Taydakov, Ilya V.; Metlin, Mikhail T.; Kozyukhin, Sergey; Bezzubov, Stanislav
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 10.5699 ± 0.0002 Å
• b: 11.7403 ± 0.0002 Å
• c: 12.2502 ± 0.0002 Å
• α: 92.261 ± 0.001°
• β: 93.16 ± 0.001°
• γ: 104.388 ± 0.001°
• Cell volume: 1468.03 ± 0.04 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0342
• Residual factor for significantly intense reflections: 0.0307
• Weighted residual factors for significantly intense reflections: 0.0718
• Weighted residual factors for all reflections included in the refinement: 0.0736
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No