Crystallography Open Database

Information card for entry 7242183

Preview

Coordinates	7242183.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H24 N10 O8 S2
Calculated formula	C7.9998 H24 N10.0002 O8 S2
Title of publication	Guanidinium sulfates as directors of noncentrosymmetric structures
Authors of publication	Brummel, Beau R.; Lee, Kinsey G.; Kolis, Joseph W.; Whitehead, Daniel C.; McMillen, Colin D.
Journal of publication	CrystEngComm
Year of publication	2021
Journal volume	23
Journal issue	7
Pages of publication	1643 - 1656
a	10.0469 ± 0.001 Å
b	10.0469 ± 0.001 Å
c	17.318 ± 0.0017 Å
α	90°
β	90°
γ	120°
Cell volume	1513.9 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	155
Hermann-Mauguin space group symbol	R 3 2 :H
Hall space group symbol	R 3 2"
Residual factor for all reflections	0.0265
Residual factor for significantly intense reflections	0.0257
Weighted residual factors for significantly intense reflections	0.0629
Weighted residual factors for all reflections included in the refinement	0.0632
Goodness-of-fit parameter for all reflections included in the refinement	1.091
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
262586 (current)	2021-03-05	cif/ Updating files of 7242177, 7242178, 7242179, 7242180, 7242181, 7242182, 7242183 Original log message: Adding full bibliography for 7242177--7242183.cif.	7242183.cif
261251	2021-01-27	cif/ Adding structures of 7242177, 7242178, 7242179, 7242180, 7242181, 7242182, 7242183 via cif-deposit CGI script.	7242183.cif