Crystallography Open Database

Information card for entry 7114848

Preview

Coordinates	7114848.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34.5 H55 N3 Si3 Tl2
Calculated formula	C34.5 H54 N3 Si3 Tl2
Title of publication	First structural characterization of a mixed valent thallium(i/iii) amide bearing an n-butylthallium(iii) unit stabilized by a tripodal amido ligand
Authors of publication	Galka, Christian H.; Gade, Lutz H.
Journal of publication	Chemical Communications
Year of publication	2001
Journal issue	10
Pages of publication	899
a	21.346 ± 0.006 Å
b	14.4015 ± 0.0013 Å
c	26.384 ± 0.01 Å
α	90°
β	107.869 ± 0.014°
γ	90°
Cell volume	7720 ± 4 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	5
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	0.0693
Residual factor for significantly intense reflections	0.0471
Weighted residual factors for significantly intense reflections	0.1108
Weighted residual factors for all reflections included in the refinement	0.1287
Goodness-of-fit parameter for all reflections included in the refinement	1.069
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
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.	7114848.cif
118373	2014-06-30	cif/ Adding structures of 7114848 via cif-deposit CGI script.	7114848.cif