Crystallography Open Database

Information card for entry 7114219

Preview

Coordinates	7114219.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C183 H207 Cl9 Hg9 O3 S36
Calculated formula	C182 H198 Cl9 Hg9 O3 S36
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	22.0184 ± 0.0002 Å
b	22.0184 ± 0.0002 Å
c	51.6679 ± 0.0005 Å
α	90°
β	90°
γ	120°
Cell volume	21693.2 ± 0.3 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 K
Number of distinct elements	6
Space group number	165
Hermann-Mauguin space group symbol	P -3 c 1
Hall space group symbol	-P 3 2"c
Residual factor for all reflections	0.184
Residual factor for significantly intense reflections	0.064
Weighted residual factors for all reflections	0.587
Weighted residual factors for all reflections included in the refinement	0.081
Goodness-of-fit parameter for all reflections	52.143
Goodness-of-fit parameter for all reflections included in the refinement	1.077
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	Mo-Kα
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.	7114219.cif
116622	2014-06-13	cif/ Adding structures of 7114219, 7114220 via cif-deposit CGI script.	7114219.cif