Crystallography Open Database

Information card for entry 7200301

7200300 << 7200301 >> 7200302

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Coordinates	7200301.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C96 H78 N12 O35 S8 Zn4
Calculated formula	C96 H77.98 N12 O34.99 S8 Zn4
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	12.6793 ± 0.0014 Å
b	13.7736 ± 0.0015 Å
c	14.5737 ± 0.0016 Å
α	94.752 ± 0.002°
β	93.952 ± 0.002°
γ	107.064 ± 0.001°
Cell volume	2413.1 ± 0.5 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 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	0.0864
Residual factor for significantly intense reflections	0.0565
Weighted residual factors for significantly intense reflections	0.1128
Weighted residual factors for all reflections included in the refinement	0.1234
Goodness-of-fit parameter for all reflections included in the refinement	0.98
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
180334 (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 7/20/03.	7200301.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7200301.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7200301.cif
1167	2010-05-13	cif/ Adding data from the rest of 2009 RSC journals, Inorg-Chem-2008 and Chem-Comm-2010_18-19.	7200301.cif