Crystallography Open Database

Information card for entry 7063543

Preview

Coordinates	7063543.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H15 N2 O4 Re S
Calculated formula	C21 H15 N2 O4 Re S
Title of publication	Synthesis, characterization, DNA/protein-binding study and anticancer activity of novel tricarbonyl Re(i) complexes with an ONS donor azo-thioether pincer ligand
Authors of publication	Das, Akash; Guha, Subhabrata; Halder, Arpan; Gharami, Saswati; Naskar, Rahul; Das, Gaurav; Mondal, Tapan K.
Journal of publication	New Journal of Chemistry
Year of publication	2025
Journal volume	49
Journal issue	2
Pages of publication	559 - 571
a	12.3197 ± 0.0013 Å
b	18.6903 ± 0.0019 Å
c	9.6299 ± 0.0011 Å
α	90°
β	111.997 ± 0.003°
γ	90°
Cell volume	2056 ± 0.4 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 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	0.0277
Residual factor for significantly intense reflections	0.023
Weighted residual factors for significantly intense reflections	0.0541
Weighted residual factors for all reflections included in the refinement	0.0566
Goodness-of-fit parameter for all reflections included in the refinement	1.065
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
299015 (current)	2025-04-05	cif/ Updating files of 7063542, 7063543 Original log message: Adding full bibliography for 7063542--7063543.cif.	7063543.cif
296000	2024-11-20	cif/ Adding structures of 7063542, 7063543 via cif-deposit CGI script.	7063543.cif