Crystallography Open Database

Information card for entry 4109585

Preview

Coordinates	4109585.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H23 O5 P Pd S
Calculated formula	C23 H23 O5 P Pd S
SMILES	[Pd]12(C(CC)OC(=[O]1)C)[P](c1c(S(=O)(=O)O2)cccc1)(c1ccccc1)c1ccccc1
Title of publication	Alternating Copolymerization of Vinyl Acetate with Carbon Monoxide
Authors of publication	Takuya Kochi; Akifumi Nakamura; Hirotsugu Ida; Kyoko Nozaki
Journal of publication	Journal of the American Chemical Society
Year of publication	2007
Journal volume	129
Pages of publication	7770 - 7771
a	9.2821 ± 0.0009 Å
b	17.5262 ± 0.0011 Å
c	13.815 ± 0.001 Å
α	90°
β	101.407 ± 0.0014°
γ	90°
Cell volume	2203 ± 0.3 Å³
Cell temperature	103 ± 2 K
Ambient diffraction temperature	103 ± 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	0.0252
Residual factor for significantly intense reflections	0.0241
Weighted residual factors for significantly intense reflections	0.0603
Weighted residual factors for all reflections included in the refinement	0.061
Goodness-of-fit parameter for all reflections included in the refinement	1.072
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
178841 (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 4/10/95.	4109585.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4109585.cif
58362	2012-05-28	cif/ Adding structures of 4109585 via cif-deposit CGI script.	4109585.cif