Crystallography Open Database

Information card for entry 7705006

Preview

Coordinates	7705006.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C43 H35 Cl2 F3 O0.75 P2 Pd
Calculated formula	C43 H35 Cl2 F3 O0.75 P2 Pd
Title of publication	Experimental study of speciation and mechanistic implications when using chelating ligands in aryl-alkynyl Stille coupling.
Authors of publication	Gallego, Ana M.; Peñas-Defrutos, Marconi N; Marcos-Ayuso, Guillermo; Martin-Alvarez, Jose M; Martínez-Ilarduya, Jesús M; Espinet, Pablo
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	32
Pages of publication	11336 - 11345
a	43.4249 ± 0.001 Å
b	9.8871 ± 0.0002 Å
c	18.8438 ± 0.0005 Å
α	90°
β	97.664 ± 0.002°
γ	90°
Cell volume	8018.2 ± 0.3 Å³
Cell temperature	210.1 ± 0.3 K
Ambient diffraction temperature	210.1 ± 0.3 K
Number of distinct elements	7
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	0.1258
Residual factor for significantly intense reflections	0.0754
Weighted residual factors for significantly intense reflections	0.1449
Weighted residual factors for all reflections included in the refinement	0.1687
Goodness-of-fit parameter for all reflections included in the refinement	1.096
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
256068 (current)	2020-09-06	cif/ Updating files of 7705001, 7705002, 7705003, 7705004, 7705005, 7705006 Original log message: Adding full bibliography for 7705001--7705006.cif.	7705006.cif
254761	2020-08-04	cif/ Adding structures of 7705001, 7705002, 7705003, 7705004, 7705005, 7705006 via cif-deposit CGI script.	7705006.cif