Crystallography Open Database

Information card for entry 4111618

Preview

Coordinates	4111618.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30.23 H26.47 Cl0.47 P2 Pt
Calculated formula	C30.2333 H26.4667 Cl0.466667 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	13.837 ± 0.012 Å
b	14.073 ± 0.016 Å
c	14.231 ± 0.013 Å
α	115.24 ± 0.08°
β	98.64 ± 0.06°
γ	90.88 ± 0.12°
Cell volume	2468 ± 5 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.1559
Residual factor for significantly intense reflections	0.1235
Weighted residual factors for significantly intense reflections	0.299
Weighted residual factors for all reflections included in the refinement	0.3289
Goodness-of-fit parameter for all reflections included in the refinement	1.218
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
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.	4111618.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4111618.cif
63219	2012-07-19	cif/ Adding structures of 4111618 via cif-deposit CGI script.	4111618.cif