Crystallography Open Database

Information card for entry 1517514

Preview

Coordinates	1517514.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[Tc(benzol)2]PF6
Formula	C12 H12 F6 P Tc
Calculated formula	C12 H12 F6 P Tc
Title of publication	From TcVIIto TcI; facile syntheses of bis-arene complexes [99(m)Tc(arene)2]+from pertechnetate
Authors of publication	Benz, Michael; Braband, Henrik; Schmutz, Paul; Halter, Jonathan; Alberto, Roger
Journal of publication	Chem. Sci.
Year of publication	2015
Journal volume	6
Journal issue	1
Pages of publication	165
a	13.8831 ± 0.0007 Å
b	9.8745 ± 0.0005 Å
c	9.719 ± 0.0006 Å
α	90°
β	94.232 ± 0.005°
γ	90°
Cell volume	1328.73 ± 0.13 Å³
Cell temperature	183 ± 2 K
Ambient diffraction temperature	183 ± 2 K
Number of distinct elements	5
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	0.0527
Residual factor for significantly intense reflections	0.0317
Weighted residual factors for significantly intense reflections	0.0757
Weighted residual factors for all reflections included in the refinement	0.0904
Goodness-of-fit parameter for all reflections included in the refinement	1.025
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1517514.cif
130981	2015-02-04	cif/ Updating files of 1517514, 1517515, 1517516, 1517517, 1517518 Original log message: Adding full bibliography for 1517514--1517518.cif.	1517514.cif
122903	2014-09-06	cif/ Adding structures of 1517514, 1517515, 1517516, 1517517, 1517518 via cif-deposit CGI script.	1517514.cif