Crystallography Open Database

Information card for entry 7114220

Preview

Coordinates	7114220.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C106 H136 Hg4 O12 S12
Calculated formula	C106 H136 Hg4 O12 S12
Title of publication	Koilands from thiophiles: mercury(ii) clusters from thiacalixarenes
Authors of publication	Akdas, Huriey; Graf, Ernest; Hosseini, Mir Wais; De Cian, André; Bilyk, Alex; Skelton, Brian W.; Koutsantonis, George A.; Murray, Ian; Harrowfield, Jack M.; White, Allan H.
Journal of publication	Chemical Communications
Year of publication	2002
Journal issue	10
Pages of publication	1042
a	17.764 ± 0.001 Å
b	21.016 ± 0.002 Å
c	14.929 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	5573.4 ± 0.7 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	5
Space group number	50
Hermann-Mauguin space group symbol	P b a n :2
Hall space group symbol	-P 2ab 2b
Residual factor for all reflections	0.132
Residual factor for significantly intense reflections	0.056
Weighted residual factors for all reflections	0.073
Weighted residual factors for all reflections included in the refinement	0.067
Goodness-of-fit parameter for all reflections	1.254
Goodness-of-fit parameter for all reflections included in the refinement	1.436
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	7114220.cif
116622	2014-06-13	cif/ Adding structures of 7114219, 7114220 via cif-deposit CGI script.	7114220.cif