Crystallography Open Database

Information card for entry 7715815

Preview

Coordinates	7715815.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	5.0408 ± 0.0004 Å
b	16.6643 ± 0.0013 Å
c	19.8837 ± 0.0018 Å
α	90°
β	90°
γ	90°
Cell volume	1670.3 ± 0.2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	3
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0881
Residual factor for significantly intense reflections	0.0543
Weighted residual factors for significantly intense reflections	0.1025
Weighted residual factors for all reflections included in the refinement	0.1159
Goodness-of-fit parameter for all reflections included in the refinement	1.044
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.	7715815.cif