Crystallography Open Database

Information card for entry 2311728

Preview

Coordinates	2311728.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Tetramethylammonium tetrachlorogallate(III)
Formula	C4 H12 Cl4 Ga N
Calculated formula	C4 Cl4 Ga N
SMILES	C[N+](C)(C)C.[Cl-][Ga](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	6.4571 ± 0.0005 Å
b	7.1456 ± 0.0005 Å
c	6.4596 ± 0.0006 Å
α	90°
β	91.721 ± 0.008°
γ	90°
Cell volume	297.91 ± 0.04 Å³
Cell temperature	300 K
Ambient diffraction temperature	300 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	0.0432
Residual factor for significantly intense reflections	0.0425
Weighted residual factors for all reflections	0.0995
Weighted residual factors for significantly intense reflections	0.0989
Weighted residual factors for all reflections included in the refinement	0.0995
Goodness-of-fit parameter for all reflections included in the refinement	0.9828
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.	2311728.cif