Crystallography Open Database

Information card for entry 7235726

Preview

Coordinates	7235726.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H24 K4 Na2 O23 S8
Calculated formula	C24 H24 K4 Na2 O23 S8
SMILES	O=S(=O)([O-])c1cc2Sc3c(c(cc(c3)S(=O)(=O)[O-])Sc3c([O-])c(Sc4cc(cc(Sc(c1)c2[O-])c4O)S(=O)(=O)[O-])cc(c3)S(=O)(=O)[O-])O.[K+].O.[K+].[K+].[K+].O.[Na+].O.[Na+].O.O.O.O
Title of publication	A hetero-alkali metallic (Na, K) three-dimensional supramolecular assembly based on p-sulfonatothiacalix[4]arene
Authors of publication	Kunda, Uma Maheswara Rao; Yamada, Manabu; Kimuro, Takashi; Katagiri, Hiroshi; Kondo, Yoshihiko; Hamada, Fumio
Journal of publication	RSC Advances
Year of publication	2015
Journal volume	5
Journal issue	38
Pages of publication	30140
a	12.291 ± 0.002 Å
b	12.542 ± 0.002 Å
c	14.204 ± 0.003 Å
α	73.826 ± 0.005°
β	86.706 ± 0.007°
γ	74.532 ± 0.005°
Cell volume	2026.4 ± 0.6 Å³
Cell temperature	93 K
Ambient diffraction temperature	93 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0312
Residual factor for significantly intense reflections	0.0262
Weighted residual factors for significantly intense reflections	0.077
Weighted residual factors for all reflections included in the refinement	0.0786
Goodness-of-fit parameter for all reflections included in the refinement	1.071
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
233263 (current)	2019-11-23	cif/ Adding structures of 7235726 via cif-deposit CGI script.	7235726.cif