Crystallography Open Database

Information card for entry 4330279

Preview

Coordinates	4330279.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H42 Cl3.91 N O Tc0.95
Calculated formula	C19 H42 Cl3.9069 N O Tc0.95345
Title of publication	Probing the Presence of Multiple Metal-Metal Bonds in Technetium Chlorides by X-ray Absorption Spectroscopy: Implications for Synthetic Chemistry
Authors of publication	Frederic Poineau; Erik V. Johnstone; Paul M. Forster; Longzou Ma; Alfred P. Sattelberger; Kenneth R. Czerwinski
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	9563 - 9570
a	10.1856 ± 0.001 Å
b	14.8529 ± 0.0015 Å
c	17.2877 ± 0.0018 Å
α	90°
β	91.214 ± 0.002°
γ	90°
Cell volume	2614.8 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0356
Residual factor for significantly intense reflections	0.0296
Weighted residual factors for significantly intense reflections	0.0684
Weighted residual factors for all reflections included in the refinement	0.0711
Goodness-of-fit parameter for all reflections included in the refinement	1.12
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
179405 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/02.	4330279.cif
79531	2013-04-05	cif/ Adding structures of 4330279 via cif-deposit CGI script.	4330279.cif