Crystallography Open Database

Information card for entry 7715818

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Coordinates	7715818.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H18 N4
Calculated formula	C21 H18 N4
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	17.1096 ± 0.0003 Å
b	7.691 ± 0.0001 Å
c	26.8277 ± 0.0006 Å
α	90°
β	104.263 ± 0.001°
γ	90°
Cell volume	3421.44 ± 0.11 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	3
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	0.0951
Residual factor for significantly intense reflections	0.057
Weighted residual factors for significantly intense reflections	0.125
Weighted residual factors for all reflections included in the refinement	0.1475
Goodness-of-fit parameter for all reflections included in the refinement	1.028
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
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.	7715818.cif