Crystallography Open Database

Information card for entry 7250130

Preview

Coordinates	7250130.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H50 Cl6 N2 Pd
Calculated formula	C42 H50 Cl6 N2 Pd
Title of publication	Investigation of the In Vitro Anticancer Potential of Bis(imino)acenaphthene-N-Heterocyclic Carbene Transition Metal Complexes Revealed TrxR Inhibition and Triggering of Immunogenic Cell Death (ICD) for Allyl Palladates
Authors of publication	Donati, Chiara; Hashim, Ishfaq Ibni; Pozsoni, Nestor Bracho; Bourda, Laurens; Van Hecke, Kristof; Cazin, Catherine S. J.; Visentin, Fabiano; Nolan, Steven P.; Gandin, Valentina; Scattolin, Thomas
Journal of publication	RSC Medicinal Chemistry
Year of publication	2025
a	12.7602 ± 0.0001 Å
b	15.6164 ± 0.0002 Å
c	21.3741 ± 0.0002 Å
α	90°
β	99.829 ± 0.001°
γ	90°
Cell volume	4196.66 ± 0.08 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0596
Residual factor for significantly intense reflections	0.0425
Weighted residual factors for significantly intense reflections	0.1049
Weighted residual factors for all reflections included in the refinement	0.1164
Goodness-of-fit parameter for all reflections included in the refinement	1.021
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
298533 (current)	2025-03-20	cif/ Adding structures of 7250130 via cif-deposit CGI script.	7250130.cif