Crystallography Open Database

Information card for entry 4087768

Preview

Coordinates	4087768.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H17 Cl N4 O Pd
Calculated formula	C18 H17 Cl N4 O Pd
SMILES	c1n(cc2[n+]1CC(=O)N1Cc3cccc[n]3[Pd]21Cl)Cc1ccccc1
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	22.2283 ± 0.0008 Å
b	22.2283 ± 0.0008 Å
c	20.4987 ± 0.0008 Å
α	90°
β	90°
γ	120°
Cell volume	8771.4 ± 0.6 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.033
Residual factor for significantly intense reflections	0.03
Weighted residual factors for significantly intense reflections	0.0747
Weighted residual factors for all reflections included in the refinement	0.0764
Goodness-of-fit parameter for all reflections included in the refinement	0.988
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.	4087768.cif