Crystallography Open Database

Information card for entry 7715816

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Coordinates	7715816.cif
Original paper (by DOI)	HTML

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 Å³
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 F_obs	No

Version history

Revision	Date	Message	Files
291340 (current)	2024-04-24	cif/ Adding structures of 7715815, 7715816, 7715817, 7715818 via cif-deposit CGI script.	7715816.cif