Crystallography Open Database

Information card for entry 7200297

7200296 << 7200297 >> 7200298

Preview

Coordinates	7200297.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Cu4 (C12H8N2)6 (C24H8S8O24) 4.49H2O
Formula	C96 H64.99 Cu4 N12 O28.49 S8
Calculated formula	C96 H56 Cu4 N12 O28.484 S8
Title of publication	Five supramolecular compounds of water-soluble sulfonylcalix[4]arenetetrasulfonate showing two calixarene conformations
Authors of publication	Bi, Y. F.; Liao, W. P.; Wang, X. F.; Li, Y. L.; Su, Z. M.; Liu, Y. B.; Zhang, H. J.; Li, D. Q.
Journal of publication	CrystEngComm
Year of publication	2009
Journal volume	11
Journal issue	4
Pages of publication	597
a	23.405 ± 0.006 Å
b	13.707 ± 0.006 Å
c	30.577 ± 0.009 Å
α	90°
β	93.075 ± 0.008°
γ	90°
Cell volume	9795 ± 6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1149
Residual factor for significantly intense reflections	0.0603
Weighted residual factors for significantly intense reflections	0.1515
Weighted residual factors for all reflections included in the refinement	0.1803
Goodness-of-fit parameter for all reflections included in the refinement	0.971
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
180333 (current)	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/02.	7200297.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7200297.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7200297.cif
1167	2010-05-13	cif/ Adding data from the rest of 2009 RSC journals, Inorg-Chem-2008 and Chem-Comm-2010_18-19.	7200297.cif