Crystallography Open Database

Information card for entry 2311108

Preview

Coordinates	2311108.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	Dipotassium disulfanilamidate trihydrate
Formula	C6 H10 K N2 O3.5 S
Calculated formula	C6 H10 K N2 O3.5 S
SMILES	c1(ccc(cc1)N)S(=O)(=N)[O-].[K+].O.O
Title of publication	Dipotassium disulfanilamidate trihydrate.
Authors of publication	How, Fiona N.-F.; Rahima, Z. A.; Khaledi, Hamid; Mohd Ali, Hapipah
Journal of publication	Acta crystallographica. Section E, Structure reports online
Year of publication	2011
Journal volume	67
Journal issue	Pt 8
Pages of publication	m1071
a	23.8174 ± 0.0004 Å
b	10.9141 ± 0.0002 Å
c	7.4645 ± 0.0001 Å
α	90°
β	90°
γ	90°
Cell volume	1940.36 ± 0.05 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	36
Hermann-Mauguin space group symbol	C m c 21
Hall space group symbol	C 2c -2
Residual factor for all reflections	0.0154
Residual factor for significantly intense reflections	0.0154
Weighted residual factors for significantly intense reflections	0.0421
Weighted residual factors for all reflections included in the refinement	0.0421
Goodness-of-fit parameter for all reflections included in the refinement	1.107
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
280578 (current)	2023-01-25	cif/2: Fixing a few Z values and formulae	2311108.cif
245580	2019-12-25	cif/ Adding structures of 2311108 via cif-deposit CGI script.	2311108.cif