Crystallography Open Database

Information card for entry 4334875

Preview

Coordinates	4334875.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22.5 H22 N O0.5 Pt S
Calculated formula	C22.5 H22 N O0.5 Pt S
Title of publication	Synthesis and Characterization of a "Pt3Tl" Cluster Containing an Unprecedented Trigonal Environment for Thallium(I)
Authors of publication	Úrsula Belío; Sara Fuertes; Antonio Martín
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	5627 - 5629
a	42.5046 ± 0.0014 Å
b	9.9891 ± 0.0003 Å
c	9.0748 ± 0.0003 Å
α	90°
β	101.875 ± 0.003°
γ	90°
Cell volume	3770.5 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0188
Residual factor for significantly intense reflections	0.0182
Weighted residual factors for significantly intense reflections	0.0456
Weighted residual factors for all reflections included in the refinement	0.046
Goodness-of-fit parameter for all reflections included in the refinement	1.071
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
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.	4334875.cif
100759	2014-02-07	cif/ Adding structures of 4334875 via cif-deposit CGI script.	4334875.cif