Crystallography Open Database

Information card for entry 7219371

7219370 << 7219371 >> 7219372

Preview

Coordinates	7219371.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H50 Cl4 N4 Pd2
Calculated formula	C52 H50 Cl4 N4 Pd2
SMILES	[Pd]1([N](=C2c3cccc4C5=[N]([Pd]([N](c6c(C)cc(cc6C)C)=C5c5c(c(ccc5)C2=[N]1c1c(C)cc(cc1C)C)c34)(Cl)Cl)c1c(C)cc(cc1C)C)c1c(C)cc(cc1C)C)(Cl)Cl
Title of publication	Enhancing catalytic activity towards Heck-reaction by using 4,5,9,10-tetra(arylimino)pyrenylidenyldipalladium tetrachlorides
Authors of publication	Zhao, Tong; Xing, Qifeng; Song, Kuifeng; Ban, Qing; Liang, Tongling; Liu, Qingbin; Sun, Wen Hua
Journal of publication	RSC Adv.
Year of publication	2015
a	14.458 ± 0.003 Å
b	12.382 ± 0.003 Å
c	30.667 ± 0.006 Å
α	90°
β	90.15 ± 0.03°
γ	90°
Cell volume	5490 ± 2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for significantly intense reflections	0.0548
Weighted residual factors for significantly intense reflections	0.1499
Weighted residual factors for all reflections included in the refinement	0.1534
Goodness-of-fit parameter for all reflections included in the refinement	1.04
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
180524 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/93.	7219371.cif
130085	2015-01-23	cif/ Adding structures of 7219369, 7219370, 7219371 via cif-deposit CGI script.	7219371.cif