Crystallography Open Database

Information card for entry 1561884

Preview

Coordinates	1561884.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H19 Cl2 N3 O2 Pd
Calculated formula	C23 H19 Cl2 N3 O2 Pd
SMILES	[Pd]12([N]3=C(c4[n]1c(ccc4)C(=O)N2[C@H](CCl)c1ccccc1)OC[C@@H]3c1ccccc1)Cl
Title of publication	Syntheses, characterization and properties of silver, copper and palladium complexes from bis(oxazoline)-containing ligands
Authors of publication	Kuai, Hai-Wei; Cheng, Xiao-Chun; Li, Deng-Hao; Hu, Tao; Zhu, Xiao-Hong
Journal of publication	Journal of Solid State Chemistry
Year of publication	2015
Journal volume	228
Pages of publication	65 - 75
a	9.459 ± 0.0012 Å
b	11.1548 ± 0.0014 Å
c	10.5292 ± 0.0013 Å
α	90°
β	103.13 ± 0.002°
γ	90°
Cell volume	1081.9 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0276
Residual factor for significantly intense reflections	0.0241
Weighted residual factors for significantly intense reflections	0.0502
Weighted residual factors for all reflections included in the refinement	0.0524
Goodness-of-fit parameter for all reflections included in the refinement	1.022
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
264290 (current)	2021-04-19	cif/ Adding structures of 1561879, 1561880, 1561881, 1561882, 1561883, 1561884 via cif-deposit CGI script.	1561884.cif