Crystallography Open Database

Information card for entry 7716730

Preview

Coordinates	7716730.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34.33 H21.67 Cl N3 O3 Re
Calculated formula	C32 H19 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	7.7233 ± 0.0002 Å
b	13.4308 ± 0.0004 Å
c	14.3953 ± 0.0005 Å
α	89.027 ± 0.002°
β	82.586 ± 0.003°
γ	79.332 ± 0.002°
Cell volume	1455.11 ± 0.08 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0743
Residual factor for significantly intense reflections	0.0508
Weighted residual factors for significantly intense reflections	0.107
Weighted residual factors for all reflections included in the refinement	0.1153
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
294545 (current)	2024-09-06	cif/ Updating files of 7716730, 7716731 Original log message: Adding full bibliography for 7716730--7716731.cif.	7716730.cif
293545	2024-07-26	cif/ Adding structures of 7716730, 7716731 via cif-deposit CGI script.	7716730.cif