Crystallography Open Database

Information card for entry 4330280

Preview

Coordinates	4330280.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35 H78 Cl14 N2 O0 Tc2
Calculated formula	C35 H78 Cl14 N2 Tc2
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	21.815 ± 0.003 Å
b	14.7166 ± 0.0019 Å
c	16.908 ± 0.002 Å
α	90°
β	92.09 ± 0.002°
γ	90°
Cell volume	5424.6 ± 1.2 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	0.0957
Residual factor for significantly intense reflections	0.0742
Weighted residual factors for significantly intense reflections	0.1913
Weighted residual factors for all reflections included in the refinement	0.1998
Goodness-of-fit parameter for all reflections included in the refinement	1.082
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.	4330280.cif
79532	2013-04-05	cif/ Adding structures of 4330280 via cif-deposit CGI script.	4330280.cif