Crystallography Open Database

Information card for entry 8102200

Preview

Coordinates	8102200.cif

Structure parameters

Chemical name	tributylmethylammonium tetrachloro(1,4-dioxane)oxotungstate(V) 1,4-dioxane hemisolvate
Formula	C19 H42 Cl4 N O4 W
Calculated formula	C19 H42 Cl4 N O4 W
Title of publication	Crystal structure of tributylmethylammonium tetrachloro(1,4-dioxane)oxotungstate(V) 1,4-dioxane hemisolvate, [N(CH3)(C4H9)3][WOCl4(C4H8O2)] · 0.5C4H8O2
Authors of publication	Alexander Okrut; Claus Feldmann
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2008
Journal volume	223
Journal issue	1
Pages of publication	21
a	26.76 ± 0.005 Å
b	11.078 ± 0.002 Å
c	22.663 ± 0.005 Å
α	90°
β	125.3 ± 0.03°
γ	90°
Cell volume	5483 ± 3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
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	0.102
Residual factor for significantly intense reflections	0.0355
Weighted residual factors for significantly intense reflections	0.0629
Weighted residual factors for all reflections included in the refinement	0.0746
Goodness-of-fit parameter for all reflections included in the refinement	0.819
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176466 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8.	8102200.cif
108108	2014-03-27	cif/8/ (antanas@lokys.ibt.lt) Removing some extra characters introduced while converting CIF's from one encoding into the other.	8102200.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8102200.cif
12939	2011-03-06	../uploads/cif-deposit/cod/cif Adding structures of 8102200 via cif-deposit CGI script.	8102200.cif