Crystallography Open Database

Information card for entry 7216781

Preview

Coordinates	7216781.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H16 Cl2 F8 N2 O2 Pd
Calculated formula	C18 H16 Cl2 F8 N2 O2 Pd
SMILES	[Pd]1([n]2c(c3[n]1ccc(c3)COCC(F)(F)C(F)F)cc(cc2)COCC(F)(F)C(F)F)(Cl)Cl
Title of publication	Intercalated polyfluorinated Pd complexes in α-zirconium phosphate for Sonogashira and Heck reactions
Authors of publication	Lu, Norman; Lin, Kwan-Yu; Kung, Chih-Chieh; Jhuo, Jyun-Wei; Zhou, Yingjie; Liu, Jingjing; Sun, Luyi
Journal of publication	RSC Advances
Year of publication	2014
Journal volume	4
Journal issue	52
Pages of publication	27329
a	9.3497 ± 0.0003 Å
b	9.916 ± 0.0004 Å
c	12.4927 ± 0.0004 Å
α	93.291 ± 0.002°
β	111.275 ± 0.001°
γ	91.89 ± 0.002°
Cell volume	1075.7 ± 0.07 Å³
Cell temperature	150 ± 0.1 K
Ambient diffraction temperature	150 ± 0.1 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0398
Residual factor for significantly intense reflections	0.0323
Weighted residual factors for significantly intense reflections	0.086
Weighted residual factors for all reflections included in the refinement	0.0976
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
180498 (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 7/21/67.	7216781.cif
118170	2014-06-26	cif/ Adding structures of 7216781 via cif-deposit CGI script.	7216781.cif