Crystallography Open Database

Information card for entry 7716731

Preview

Coordinates	7716731.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H15 Cl N3 O3 Re
Calculated formula	C24 H15 Cl N3 O3 Re
Title of publication	Cancer phototherapy by CO releasing terpyridine-based Re(I) tricarbonyl complexes <i>via</i> ROS generation and NADH oxidation.
Authors of publication	Kushwaha, Rajesh; Upadhyay, Aarti; Saha, Sukanta; Yadav, Ashish Kumar; Bera, Arpan; Dutta, Arnab; Banerjee, Samya
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2024
Journal volume	53
Journal issue	32
Pages of publication	13591 - 13601
a	11.5938 ± 0.0002 Å
b	11.5936 ± 0.0003 Å
c	15.8191 ± 0.0003 Å
α	90°
β	101.876 ± 0.001°
γ	90°
Cell volume	2080.79 ± 0.08 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 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	0.0193
Residual factor for significantly intense reflections	0.016
Weighted residual factors for significantly intense reflections	0.0324
Weighted residual factors for all reflections included in the refinement	0.0334
Goodness-of-fit parameter for all reflections included in the refinement	1.032
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
294545 (current)	2024-09-06	cif/ Updating files of 7716730, 7716731 Original log message: Adding full bibliography for 7716730--7716731.cif.	7716731.cif
293545	2024-07-26	cif/ Adding structures of 7716730, 7716731 via cif-deposit CGI script.	7716731.cif