Crystallography Open Database

Information card for entry 7205810

7205809 << 7205810 >> 7205811

Preview

Coordinates	7205810.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C100 H72 K8 O23 S16
Calculated formula	C100 H72 K8 O23 S16
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	22.2021 ± 0.001 Å
b	19.4371 ± 0.0009 Å
c	15.8554 ± 0.0006 Å
α	90°
β	130.596 ± 0.0009°
γ	90°
Cell volume	5195.5 ± 0.4 Å³
Cell temperature	173.1 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0661
Residual factor for significantly intense reflections	0.0552
Weighted residual factors for significantly intense reflections	0.1577
Weighted residual factors for all reflections included in the refinement	0.1851
Goodness-of-fit parameter for all reflections included in the refinement	1.379
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180389 (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 7/20/58.	7205810.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7205810.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7205810.cif
21018	2011-06-21	../uploads/cif-deposit/cod/cif Adding structures of 7205809, 7205810 via cif-deposit CGI script.	7205810.cif