Crystallography Open Database

Information card for entry 4114317

Preview

Coordinates	4114317.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	bis(tetramethylammonium)tetrachloronitridochromate(V)hydrate
Formula	C8 H26 Cl4 Cr N3 O
Calculated formula	C8 H49.56 Cl4.02 Cr1.02 N3.02 O0.96
Title of publication	[Cr(N)Cl4]2-: A Simple Nitrido Complex Synthesized by Nitrogen-Atom Transfer
Authors of publication	Jesper Bendix
Journal of publication	Journal of the American Chemical Society
Year of publication	2003
Journal volume	125
Pages of publication	13348 - 13349
a	12.3488 ± 0.0014 Å
b	12.3488 ± 0.0014 Å
c	12.3488 ± 0.0014 Å
α	90°
β	90°
γ	90°
Cell volume	1883.1 ± 0.4 Å³
Cell temperature	122 ± 1 K
Number of distinct elements	6
Space group number	225
Hermann-Mauguin space group symbol	F m -3 m
Hall space group symbol	-F 4 2 3
Residual factor for all reflections	0.0714
Residual factor for significantly intense reflections	0.0703
Weighted residual factors for significantly intense reflections	0.2184
Weighted residual factors for all reflections included in the refinement	0.2201
Goodness-of-fit parameter for all reflections included in the refinement	1.197
Diffraction radiation probe	x-ray
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4114317.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4114317.cif
67614	2012-10-01	cif/ Adding structures of 4114317 via cif-deposit CGI script.	4114317.cif