Crystallography Open Database

Information card for entry 7014589

Preview

Coordinates	7014589.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H20 Cl2 N4 Pd
Calculated formula	C19 H20 Cl2 N4 Pd
SMILES	[Pd]1(=C2N(c3cccc[n]13)C=CN2c1c(cc(cc1C)C)C)(Cl)Cl.N#CC
Title of publication	Palladium(II) complexes based on 1,8-naphthyridine functionalized N-heterocyclic carbenes (NHC) and their catalytic activity.
Authors of publication	Chang, Yung-Hung; Liu, Zu-Yin; Liu, Yi-Hung; Peng, Shei-Ming; Chen, Jwu-Ting; Liu, Shiuh-Tzung
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2011
Journal volume	40
Journal issue	2
Pages of publication	489 - 494
a	8.9076 ± 0.0003 Å
b	8.9076 ± 0.0003 Å
c	21.4007 ± 0.001 Å
α	90°
β	90°
γ	120°
Cell volume	1470.55 ± 0.1 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	144
Hermann-Mauguin space group symbol	P 31
Hall space group symbol	P 31
Residual factor for all reflections	0.0379
Residual factor for significantly intense reflections	0.0324
Weighted residual factors for significantly intense reflections	0.0807
Weighted residual factors for all reflections included in the refinement	0.0825
Goodness-of-fit parameter for all reflections included in the refinement	1.037
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
179849 (current)	2016-03-25	cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/45.	7014589.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7014589.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7014589.cif
14797	2011-03-11	../uploads/cif-deposit/cod/cif Adding structures of 7014589, 7014590 via cif-deposit CGI script.	7014589.cif