Crystallography Open Database

Information card for entry 4068944

Preview

Coordinates	4068944.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H72 Br4 Hg2 N12 O6 S6
Calculated formula	C52 H72 Br4 Hg2 N12 O6 S6
Title of publication	Mercury Complexes of N-Heterocyclic Carbenes Derived from Imidazolium-Linked Cyclophanes: Synthesis, Structure, and Reactivity
Authors of publication	Baker, Murray V.; Brown, David H.; Haque, Rosenani A.; Simpson, Peter V.; Skelton, Brian W.; White, Allan H.; Williams, Charlotte C.
Journal of publication	Organometallics
Year of publication	2009
Journal volume	28
Journal issue	13
Pages of publication	3793
a	26.397 ± 0.003 Å
b	16.474 ± 0.002 Å
c	16.159 ± 0.002 Å
α	90°
β	101.015 ± 0.002°
γ	90°
Cell volume	6897.5 ± 1.4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0945
Residual factor for significantly intense reflections	0.0576
Weighted residual factors for significantly intense reflections	0.155
Weighted residual factors for all reflections included in the refinement	0.1653
Goodness-of-fit parameter for all reflections included in the refinement	1.038
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	4068944.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4068944.cif
40054	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 4068943, 4068944, 4068945, 4068946, 4068947, 4068948 via cif-deposit CGI script.	4068944.cif