Crystallography Open Database

Information card for entry 4111620

Preview

Coordinates	4111620.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H22 Cl4 P2 Pt
Calculated formula	C29 H22 Cl4 P2 Pt
Title of publication	Metal-Templated Diyne Cyclodimerization and Cyclotrimerization
Authors of publication	Maria Paz Martin-Redondo; Ludmila Scoles; Brian T. Sterenberg; Konstantin A. Udachin; Arthur J. Carty
Journal of publication	Journal of the American Chemical Society
Year of publication	2005
Journal volume	127
Pages of publication	5038 - 5039
a	13.4455 ± 0.0013 Å
b	12.6751 ± 0.0012 Å
c	17.2623 ± 0.0016 Å
α	90°
β	94.205 ± 0.002°
γ	90°
Cell volume	2934 ± 0.5 Å³
Cell temperature	125 ± 2 K
Ambient diffraction temperature	125 ± 2 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	0.0775
Residual factor for significantly intense reflections	0.042
Weighted residual factors for significantly intense reflections	0.0855
Weighted residual factors for all reflections included in the refinement	0.0957
Goodness-of-fit parameter for all reflections included in the refinement	0.943
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
178887 (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 4/11/16.	4111620.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4111620.cif
63221	2012-07-19	cif/ Adding structures of 4111620 via cif-deposit CGI script.	4111620.cif