Crystallography Open Database

Information card for entry 7205809

7205808 << 7205809 >> 7205810

Preview

Coordinates	7205809.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C72 H84 K8 O14 S8
Calculated formula	C72 H84 K8 O14 S8
Title of publication	Thiacalix[4]arene‒potassium assemblies: a supramolecular architecture based on coordination polymers and a dimeric structure based on triangular pyramidal arrangements
Authors of publication	Yamada, Manabu; Hamada, Fumio
Journal of publication	CrystEngComm
Year of publication	2011
Journal volume	13
Journal issue	7
Pages of publication	2494
a	12.7148 ± 0.0006 Å
b	13.1573 ± 0.0005 Å
c	23.569 ± 0.0012 Å
α	90°
β	98.144 ± 0.0017°
γ	90°
Cell volume	3903.2 ± 0.3 Å³
Cell temperature	120.1 K
Ambient diffraction temperature	120.1 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for significantly intense reflections	0.0559
Weighted residual factors for all reflections included in the refinement	0.1884
Goodness-of-fit parameter for all reflections included in the refinement	1.047
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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7205809.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7205809.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7205809.cif
21018	2011-06-21	../uploads/cif-deposit/cod/cif Adding structures of 7205809, 7205810 via cif-deposit CGI script.	7205809.cif