Crystallography Open Database

Information card for entry 7012108

Preview

Coordinates	7012108.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Tl(hfa)xdiglyme
Formula	C11 H15 F6 O5 Tl
Calculated formula	C11 H15 F6 O5 Tl
SMILES	C(=C([O-])C(F)(F)F)C(=O)C(F)(F)F.C(COC)OCCOC.[Tl+]
Title of publication	Synthesis, crystal structure and mass transport properties of novel thallium ion precursors for MOCVD applications
Authors of publication	Malandrino, Graziella; Borzì, Anna M.; Castelli, Francesco; Fragalà, Ignazio L.; Dastrù, Walter; Gobetto, Roberto; Rossi, Patrizia; Dapporto, Paolo
Journal of publication	Dalton Transactions
Year of publication	2003
Journal issue	3
Pages of publication	369
a	8.389 ± 0.002 Å
b	10.537 ± 0.002 Å
c	18.202 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	1609 ± 0.6 Å³
Cell temperature	200 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	62
Hermann-Mauguin space group symbol	P n a m
Hall space group symbol	-P 2c 2n
Residual factor for all reflections	0.0786
Residual factor for significantly intense reflections	0.0757
Weighted residual factors for significantly intense reflections	0.1771
Weighted residual factors for all reflections included in the refinement	0.1807
Goodness-of-fit parameter for all reflections included in the refinement	1.078
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7012108.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7012108.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7012108.cif
3896	2010-12-08	cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/.	7012108.cif