Crystallography Open Database

Information card for entry 3500084

Preview

Coordinates	3500084.cif
Structure factors	3500084.hkl

Structure parameters

Common name	tetraheptylammonium bromide
Formula	C28 H60 Br N
Calculated formula	C28 H60 Br N
Title of publication	Tetraheptylammonium bromide
Authors of publication	Thierry Maris
Journal of publication	Personal communication to COD
Year of publication	2019
a	9.787 ± 0.0005 Å
b	9.7825 ± 0.0005 Å
c	31.3951 ± 0.0018 Å
α	90°
β	90°
γ	90°
Cell volume	3005.8 ± 0.3 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	4
Space group number	41
Hermann-Mauguin space group symbol	A e a 2
Hall space group symbol	A 2 -2ab
Residual factor for all reflections	0.0354
Residual factor for significantly intense reflections	0.0353
Weighted residual factors for significantly intense reflections	0.0846
Weighted residual factors for all reflections included in the refinement	0.0849
Goodness-of-fit parameter for all reflections included in the refinement	1.06
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/3500084.html