Information card for entry 7715816

Structure parameters

• Formula: C23 H24.35 Cl2 N4 O1.67 Rh
• Calculated formula: C23 H24.354 Cl2 N4 O1.677 Rh
• Title of publication: N^N^C-Cyclometalated rhodium(III) complexes with isomeric pyrimidine-based ligands: unveiling the impact of isomerism on structural motifs, luminescence and cytotoxicity
• Authors of publication: Vorobyeva, Sofia; Bautina, Sof’ya; Shekhovtsov, Nikita; Nikolaenkova, Elena B.; Sukhikh, Taisiya Sergeevna; Golubeva, Yuliya; Klyushova, Lyubov; Krivopalov, Viktor P.; Rakhmanova, Marianna I.; Gourlaouen, Christophe; Bushuev, Mark B.
• Journal of publication: Dalton Transactions
• Year of publication: 2024
• a: 8.8156 ± 0.0003 Å
• b: 10.9113 ± 0.0004 Å
• c: 12.2108 ± 0.0005 Å
• α: 103.5 ± 0.001°
• β: 92.459 ± 0.001°
• γ: 91.684 ± 0.001°
• Cell volume: 1140.11 ± 0.07 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.0483
• Residual factor for significantly intense reflections: 0.0363
• Weighted residual factors for significantly intense reflections: 0.0785
• Weighted residual factors for all reflections included in the refinement: 0.0834
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No