Crystallography Open Database

Information card for entry 8105991

Preview

Coordinates	8105991.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H17 Cl N2 O Pd
Calculated formula	C19 H17 Cl N2 O Pd
SMILES	c12[Pd](Cl)([n]3c(c2ccc(c1)C(=O)C)ccc(c3)C)[n]1ccccc1
Title of publication	Crystal structure of chlorido-(5-acetyl-2-(5-methylpyridin-2-yl)benzen-1-ido-κ2C,N)-pyridine-κN-palladium(II), C19H17ClN2OPd
Authors of publication	Lou, Xin-Hua
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2019
Journal volume	234
Journal issue	6
Pages of publication	1233 - 1235
a	9.072 ± 0.0008 Å
b	10.939 ± 0.001 Å
c	17.9604 ± 0.0007 Å
α	90°
β	97.054 ± 0.006°
γ	90°
Cell volume	1768.9 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0547
Residual factor for significantly intense reflections	0.0389
Weighted residual factors for significantly intense reflections	0.0733
Weighted residual factors for all reflections included in the refinement	0.0816
Goodness-of-fit parameter for all reflections included in the refinement	1.038
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
279069 (current)	2022-11-08	cif/ Adding structures of 8105991 via cif-deposit CGI script.	8105991.cif