Crystallography Open Database

Information card for entry 4113714

Preview

Coordinates	4113714.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C97 H90 F8 O3 P8 Pd3
Calculated formula	C83 H71 F8 O3 P8 Pd3
Title of publication	Thermal and Electrochemical C-X Activation (X = Cl, Br, I) by the Strong Lewis Acid Pd3(dppm)3(CO)2+ Cluster and Its Catalytic Applications
Authors of publication	Frédéric Lemaître; Dominique Lucas; Katherine Groison; Philippe Richard; Yves Mugnier; Pierre D. Harvey
Journal of publication	Journal of the American Chemical Society
Year of publication	2003
Journal volume	125
Pages of publication	5511 - 5522
a	10.8603 ± 0.0001 Å
b	37.0351 ± 0.0002 Å
c	21.3783 ± 0.0002 Å
α	90°
β	91.24°
γ	90°
Cell volume	8596.6 ± 0.12 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0606
Residual factor for significantly intense reflections	0.0405
Weighted residual factors for significantly intense reflections	0.1007
Weighted residual factors for all reflections included in the refinement	0.1059
Goodness-of-fit parameter for all reflections included in the refinement	1.102
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178908 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/37.	4113714.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4113714.cif
66985	2012-09-18	cif/ Adding structures of 4113714 via cif-deposit CGI script.	4113714.cif