Crystallography Open Database

Information card for entry 4080491

Preview

Coordinates	4080491.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H14 Cl N Pd S
Calculated formula	C19 H14 Cl N Pd S
SMILES	[Pd]12(c3ccccc3C=[N]2c2ccccc2[S]1c1ccccc1)Cl
Title of publication	Nickel(II) and Palladium(II) Complexes with Tridentate [C,N,S] and [C,N,P] Ligands: Syntheses, Characterization, and Catalytic Norbornene Polymerization
Authors of publication	Qiao, Ya-Lin; Jin, Guo-Xin
Journal of publication	Organometallics
Year of publication	2013
Journal volume	32
Journal issue	6
Pages of publication	1932
a	12.2201 ± 0.0012 Å
b	15.134 ± 0.0016 Å
c	9.0568 ± 0.001 Å
α	90°
β	106.708 ± 0.002°
γ	90°
Cell volume	1604.2 ± 0.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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	0.0773
Residual factor for significantly intense reflections	0.0447
Weighted residual factors for significantly intense reflections	0.1225
Weighted residual factors for all reflections included in the refinement	0.1417
Goodness-of-fit parameter for all reflections included in the refinement	0.858
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
178693 (current)	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/04.	4080491.cif
85940	2013-05-07	cif/ Adding structures of 4080489, 4080490, 4080491 via cif-deposit CGI script.	4080491.cif