Crystallography Open Database

Information card for entry 4110357

Preview

Coordinates	4110357.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H59 I N4 P2 Pd
Calculated formula	C34 H59 I N4 P2 Pd
Title of publication	Changes in Coordination of Sterically Demanding Hybrid Imidazolylphosphine Ligands on Pd(0) and Pd(II)
Authors of publication	Douglas B. Grotjahn; Yi Gong; Lev Zakharov; James A. Golen; Arnold L. Rheingold
Journal of publication	Journal of the American Chemical Society
Year of publication	2006
Journal volume	128
Pages of publication	438 - 453
a	14.3428 ± 0.001 Å
b	10.4371 ± 0.0007 Å
c	26.6199 ± 0.0019 Å
α	90°
β	97.024 ± 0.001°
γ	90°
Cell volume	3955 ± 0.5 Å³
Cell temperature	218 ± 2 K
Ambient diffraction temperature	218 ± 2 K
Number of distinct elements	6
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	0.0598
Residual factor for significantly intense reflections	0.0388
Weighted residual factors for significantly intense reflections	0.092
Weighted residual factors for all reflections included in the refinement	0.1004
Goodness-of-fit parameter for all reflections included in the refinement	1.028
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
178874 (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 4/11/03.	4110357.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4110357.cif
59153	2012-06-04	cif/ Adding structures of 4110357 via cif-deposit CGI script.	4110357.cif