Information card for entry 7714405

Structure parameters

• Formula: C44 H32 Cl2 N4 Rh2
• Calculated formula: C44 H32 Cl2 N4 Rh2
• SMILES: [Rh]123([Cl][Rh]45([Cl]1)([n]1c(c6c4cccc6)cccc1)[n]1c(c4c5cccc4)cccc1)([n]1c(c4c3cccc4)cccc1)[n]1ccccc1c1c2cccc1
• 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: 12.7993 ± 0.0008 Å
• b: 17.6551 ± 0.001 Å
• c: 16.4434 ± 0.001 Å
• α: 90°
• β: 108.775 ± 0.002°
• γ: 90°
• Cell volume: 3518 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 5
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.0986
• Residual factor for significantly intense reflections: 0.0765
• Weighted residual factors for significantly intense reflections: 0.21
• Weighted residual factors for all reflections included in the refinement: 0.2214
• Goodness-of-fit parameter for all reflections included in the refinement: 1.373
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No