Crystallography Open Database

Information card for entry 4087769

Preview

Coordinates	4087769.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H21 Cl N4 O2 Pd
Calculated formula	C20 H21 Cl N4 O2 Pd
SMILES	c1cccc2CN3C(=O)C[n+]4c(cn(Cc5cc(ccc5)OC)c4C)[Pd]3(Cl)[n]12
Title of publication	Palladium Complexes with Tridentate N-Heterocyclic Carbene Ligands: Selective “Normal” and “Abnormal” Bindings and Their Anticancer Activities
Authors of publication	Lee, Jing-Yi; Lee, Jhen-Yi; Chang, Yuan-Yu; Hu, Ching-Han; Wang, Nancy M.; Lee, Hon Man
Journal of publication	Organometallics
Year of publication	2015
Journal volume	34
Journal issue	17
Pages of publication	4359
a	8.8861 ± 0.0006 Å
b	12.432 ± 0.0008 Å
c	17.2003 ± 0.0011 Å
α	90°
β	93.214 ± 0.005°
γ	90°
Cell volume	1897.2 ± 0.2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.0578
Residual factor for significantly intense reflections	0.0385
Weighted residual factors for significantly intense reflections	0.0657
Weighted residual factors for all reflections included in the refinement	0.0701
Goodness-of-fit parameter for all reflections included in the refinement	1.405
Diffraction radiation probe	x-ray
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
236996 (current)	2019-11-24	cif/ Adding structures of 4087767, 4087768, 4087769 via cif-deposit CGI script.	4087769.cif