Crystallography Open Database

Information card for entry 1561883

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Structure parameters

Formula	C15 H17 N3 O6 Pd
Calculated formula	C15 H17 N3 O6 Pd
SMILES	[Pd]12([N]3=C(c4[n]1c(ccc4)C(=O)N2CCOC(=O)C)OCC3)OC(=O)C
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	8.17 ± 0.005 Å
b	9.98 ± 0.005 Å
c	10.617 ± 0.005 Å
α	70.976 ± 0.005°
β	84.435 ± 0.005°
γ	82.303 ± 0.005°
Cell volume	809.7 ± 0.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0656
Residual factor for significantly intense reflections	0.0643
Weighted residual factors for significantly intense reflections	0.193
Weighted residual factors for all reflections included in the refinement	0.1945
Goodness-of-fit parameter for all reflections included in the refinement	1.119
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
301787 (current)	2025-08-19	Add cross-references to PubChem compounds in COD range 1/56 Each referenced PubChem compound corresponds to the full crystal structure.	1561883.cif
264290	2021-04-19	cif/ Adding structures of 1561879, 1561880, 1561881, 1561882, 1561883, 1561884 via cif-deposit CGI script.	1561883.cif