Crystallography Open Database

Information card for entry 4111621

Preview

Coordinates	4111621.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C86.2 H64.4 Cl10.4 P6 Pt3
Calculated formula	C86.2 H64.4 Cl10.4 P6 Pt3
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	14.1487 ± 0.001 Å
b	27.8078 ± 0.0019 Å
c	23.1818 ± 0.0016 Å
α	90°
β	90°
γ	90°
Cell volume	9120.7 ± 1.1 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	20
Hermann-Mauguin space group symbol	C 2 2 21
Hall space group symbol	C 2c 2
Residual factor for all reflections	0.0953
Residual factor for significantly intense reflections	0.0564
Weighted residual factors for significantly intense reflections	0.1233
Weighted residual factors for all reflections included in the refinement	0.1397
Goodness-of-fit parameter for all reflections included in the refinement	0.981
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4111621.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4111621.cif
63222	2012-07-19	cif/ Adding structures of 4111621 via cif-deposit CGI script.	4111621.cif