Crystallography Open Database

Information card for entry 2311719

Preview

Coordinates	2311719.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Tetramethylammonium tetrachloroferrate(III)
Formula	C4 H12 Cl4 Fe N
Calculated formula	C4 H12 Cl4 Fe N
SMILES	C[N+](C)(C)C.[Cl-][Fe](Cl)(Cl)Cl
Title of publication	Phase transition sequences in tetramethylammonium tetrachlorometallates by X-ray diffraction and spectroscopic measurements.
Authors of publication	Binns, Jack; McIntyre, Garry J.; Barreda-Argüeso, José A; González, Jesús; Aguado, Fernando; Rodríguez, Fernando; Valiente, Rafael; Parsons, Simon
Journal of publication	Acta crystallographica Section B, Structural science, crystal engineering and materials
Year of publication	2017
Journal volume	73
Journal issue	Pt 5
Pages of publication	844 - 855
a	13.1361 ± 0.001 Å
b	14.0158 ± 0.0011 Å
c	6.4831 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	1193.62 ± 0.16 Å³
Cell temperature	260 K
Ambient diffraction temperature	260 K
Number of distinct elements	5
Space group number	57
Hermann-Mauguin space group symbol	P b m a
Hall space group symbol	-P 2a 2ab
Residual factor for all reflections	0.0674
Residual factor for significantly intense reflections	0.0503
Weighted residual factors for all reflections	0.1125
Weighted residual factors for significantly intense reflections	0.1063
Weighted residual factors for all reflections included in the refinement	0.1125
Goodness-of-fit parameter for all reflections included in the refinement	1
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
246094 (current)	2019-12-26	cif/ Adding structures of 2311718, 2311719, 2311720, 2311721, 2311722, 2311723, 2311724, 2311725, 2311726, 2311727, 2311728, 2311729 via cif-deposit CGI script.	2311719.cif