Crystallography Open Database

Information card for entry 2311721

Preview

Coordinates	2311721.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Tetramethylammonium tetrachloroferrate(III)
Formula	C4 H12 Cl4 Fe N
Calculated formula	C4 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	6.425 ± 0.003 Å
b	7.148 ± 0.0016 Å
c	6.4274 ± 0.0018 Å
α	90°
β	91.21 ± 0.03°
γ	90°
Cell volume	295.12 ± 0.17 Å³
Cell temperature	318 K
Ambient diffraction temperature	318 K
Number of distinct elements	5
Space group number	6
Hermann-Mauguin space group symbol	P 1 m 1
Hall space group symbol	P -2y
Residual factor for all reflections	0.0782
Residual factor for significantly intense reflections	0.0711
Weighted residual factors for all reflections	0.1864
Weighted residual factors for significantly intense reflections	0.1822
Weighted residual factors for all reflections included in the refinement	0.1864
Goodness-of-fit parameter for all reflections included in the refinement	0.9353
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.	2311721.cif