Crystallography Open Database

Information card for entry 3500087

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Structure parameters

Common name	Tetraethylammonium Bromide
Formula	C8 H20 Br N
Calculated formula	C8 H20 Br N
Title of publication	Tetraethylammonium Bromide
Authors of publication	Thierry Maris
Journal of publication	Personal communication to COD
Year of publication	2019
a	12.0127 ± 0.0002 Å
b	12.0127 ± 0.0002 Å
c	35.1627 ± 0.0008 Å
α	90°
β	90°
γ	120°
Cell volume	4394.34 ± 0.14 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	4
Space group number	167
Hermann-Mauguin space group symbol	R -3 c :H
Hall space group symbol	-R 3 2"c
Residual factor for all reflections	0.0274
Residual factor for significantly intense reflections	0.0262
Weighted residual factors for significantly intense reflections	0.0728
Weighted residual factors for all reflections included in the refinement	0.0743
Goodness-of-fit parameter for all reflections included in the refinement	1.089
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
301810 (current)	2025-08-19	Add cross-references to PubChem compounds in COD range 3/ Each referenced PubChem compound corresponds to the full crystal structure.	3500087.cif 3500087.hkl
245325	2019-12-18	cif/ hkl/ Updating files of 3500087 Original log message: Added Title	3500087.cif 3500087.hkl
245316	2019-12-18	cif/ hkl/ Updating files of 3500087 Original log message: Added Compound Name	3500087.cif 3500087.hkl
245270	2019-12-17	cif/ hkl/ Adding structures of 3500087 via cif-deposit CGI script.	3500087.cif 3500087.hkl