Crystallography Open Database

Information card for entry 4115377

Preview

Coordinates	4115377.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H33 F3 O3 P2 Pd S
Calculated formula	C32 H33 F3 O3 P2 Pd S
Title of publication	Structure-Performance Relations in Homogeneous Pd Catalysis by In Situ EXAFS Spectroscopy
Authors of publication	Moniek Tromp; Jeroen A. van Bokhoven; Richard J. van Haaren; Gino P. F. van Strijdonck; Ad M. J. van der Eerden; Piet W. N. M. van Leeuwen; Diek C. Koningsberger
Journal of publication	Journal of the American Chemical Society
Year of publication	2002
Journal volume	124
Pages of publication	14814 - 14815
a	10.9718 ± 0.0009 Å
b	16.101 ± 0.002 Å
c	18.681 ± 0.001 Å
α	90°
β	91.601 ± 0.004°
γ	90°
Cell volume	3298.8 ± 0.5 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 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	0.072
Residual factor for significantly intense reflections	0.065
Weighted residual factors for all reflections	0.07
Weighted residual factors for all reflections included in the refinement	0.067
Goodness-of-fit parameter for all reflections	1.058
Goodness-of-fit parameter for all reflections included in the refinement	1.089
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4115377.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4115377.cif
68844	2012-11-21	cif/ Adding structures of 4115377 via cif-deposit CGI script.	4115377.cif