Crystallography Open Database

Information card for entry 4119848

4119847 << 4119848 >> 4119849

Preview

Coordinates	4119848.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H43 Cl3 O3 Pd2
Calculated formula	C52 H43 Cl3 O3 Pd2
Title of publication	The Elusive Structure of Pd2(dba)3. Examination by Isotopic Labeling, NMR Spectroscopy, and X-ray Diffraction Analysis: Synthesis and Characterization of Pd2(dba-Z)3 Complexes
Authors of publication	Anant R. Kapdi; Adrian C. Whitwood; David C. Williamson; Jason M. Lynam; Michael J. Burns; Thomas J. Williams; Alan J. Reay; Jordan Holmes; Ian J. S. Fairlamb
Journal of publication	Journal of the American Chemical Society
Year of publication	2013
Journal volume	135
Pages of publication	8388 - 8399
a	13.3506 ± 0.0002 Å
b	13.27319 ± 0.00012 Å
c	24.3667 ± 0.0003 Å
α	90°
β	101.329 ± 0.0014°
γ	90°
Cell volume	4233.77 ± 0.09 Å³
Cell temperature	110 ± 0.1 K
Ambient diffraction temperature	110 ± 0.1 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 all reflections	0.0464
Residual factor for significantly intense reflections	0.0333
Weighted residual factors for significantly intense reflections	0.072
Weighted residual factors for all reflections included in the refinement	0.0796
Goodness-of-fit parameter for all reflections included in the refinement	1.073
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178969 (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 4/11/98.	4119848.cif
104033	2014-03-10	cif/ Adding structures of 4119848 via cif-deposit CGI script.	4119848.cif