Crystallography Open Database

Information card for entry 7230187

Preview

Coordinates	7230187.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H30 N8 O6 S
Calculated formula	C19 H30 N8 O6 S
Title of publication	Solid state transformations of different stoichiometric forms of an organic salt formed from 5-sulfosalicylic acid and hexamethylenetetramine upon dehydration and rehydration
Authors of publication	Fu, Qiang; Xu, Xi-kun; Liu, Bao-kai; Guo, Fang
Journal of publication	CrystEngComm
Year of publication	2018
Journal volume	20
Journal issue	13
Pages of publication	1844
a	10.8939 ± 0.0007 Å
b	12.2771 ± 0.0009 Å
c	16.6849 ± 0.0013 Å
α	90°
β	90°
γ	90°
Cell volume	2231.5 ± 0.3 Å³
Cell temperature	222 ± 2 K
Ambient diffraction temperature	222.14 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0842
Residual factor for significantly intense reflections	0.0627
Weighted residual factors for significantly intense reflections	0.1202
Weighted residual factors for all reflections included in the refinement	0.1295
Goodness-of-fit parameter for all reflections included in the refinement	1.123
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
229061 (current)	2019-11-17	cif/ Updating files of 7230185, 7230186, 7230187, 7230188 Original log message: Adding full bibliography for 7230185--7230188.cif.	7230187.cif
206666	2018-02-27	cif/ Adding structures of 7230185, 7230186, 7230187, 7230188 via cif-deposit CGI script.	7230187.cif