Crystallography Open Database

Information card for entry 4068139

Preview

Coordinates	4068139.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H52 I N O2 P2 Pd
Calculated formula	C31 H52 I N O2 P2 Pd
Title of publication	Syntheses and Thermolysis of Arylpalladium Hydroxide Complexes: Implications for C(sp2)‒OH Bond-Forming Reductive Elimination To Generate Phenol Derivatives
Authors of publication	Hayashi, Yumi; Wada, Shinji; Yamashita, Makoto; Nozaki, Kyoko
Journal of publication	Organometallics
Year of publication	2012
Journal volume	31
Journal issue	3
Pages of publication	1073
a	9.713 ± 0.003 Å
b	11.476 ± 0.003 Å
c	16.032 ± 0.005 Å
α	108.242 ± 0.004°
β	90.661 ± 0.004°
γ	92.202 ± 0.004°
Cell volume	1695.4 ± 0.9 Å³
Cell temperature	103.15 K
Ambient diffraction temperature	103 ± 2 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	0.0235
Residual factor for significantly intense reflections	0.0208
Weighted residual factors for significantly intense reflections	0.0496
Weighted residual factors for all reflections included in the refinement	0.0507
Goodness-of-fit parameter for all reflections included in the refinement	1.055
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178571 (current)	2016-03-21	cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/81.	4068139.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4068139.cif
38091	2012-03-04	../uploads/cif-deposit/cod/cif Adding structures of 4068137, 4068138, 4068139, 4068140, 4068141, 4068142 via cif-deposit CGI script.	4068139.cif