Crystallography Open Database

Information card for entry 7250893

Preview

Coordinates	7250893.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H15 Br N5 O5 Re
Calculated formula	C19 H15 Br N5 O5 Re
Title of publication	Synthesis, characterization, DNA interaction, and anticancer studies of novel facial tricarbonylrhenium(i) complexes with uracil-derived ligands
Authors of publication	Abdullah, Shabaaz; Davison, Candace; Smit, Christie Jane; Mbatha, Phiwokuhle; Mare, Jo-Anne de la; Booysen, Irvin Noel
Journal of publication	RSC Advances
Year of publication	2025
Journal volume	15
Journal issue	41
Pages of publication	34635 - 34642
a	15.19 ± 0.0008 Å
b	10.7654 ± 0.0006 Å
c	13.4702 ± 0.0007 Å
α	90°
β	108.661 ± 0.002°
γ	90°
Cell volume	2086.93 ± 0.19 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
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	0.0176
Residual factor for significantly intense reflections	0.0161
Weighted residual factors for significantly intense reflections	0.0359
Weighted residual factors for all reflections included in the refinement	0.0363
Goodness-of-fit parameter for all reflections included in the refinement	1.059
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
302221 (current)	2025-09-23	cif/ Adding structures of 7250892, 7250893, 7250894 via cif-deposit CGI script.	7250893.cif