Crystallography Open Database

Information card for entry 4104929

Preview

Coordinates	4104929.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	PG06-34
Formula	C22 H29 O2 P Pd
Calculated formula	C22 H29 O2 P Pd
Title of publication	Influence of Biaryl Phosphine Structure on C-N and C-C Bond Formation
Authors of publication	Ramendra Pratap; Damon Parrish; Padmaja Gunda; D. Venkataraman; Mahesh K. Lakshman
Journal of publication	Journal of the American Chemical Society
Year of publication	2009
Journal volume	131
Pages of publication	12240 - 12249
a	10.5058 ± 0.0006 Å
b	14.2215 ± 0.0013 Å
c	15.2801 ± 0.0014 Å
α	100.908 ± 0.004°
β	106.131 ± 0.005°
γ	98.363 ± 0.005°
Cell volume	2105.5 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0896
Residual factor for significantly intense reflections	0.0695
Weighted residual factors for significantly intense reflections	0.1655
Weighted residual factors for all reflections included in the refinement	0.1808
Goodness-of-fit parameter for all reflections included in the refinement	1.146
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
178795 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/49.	4104929.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4104929.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4104929.cif
30045	2011-11-09	../uploads/cif-deposit/cod/cif Adding structures of 4104929 via cif-deposit CGI script.	4104929.cif