Crystallography Open Database

Information card for entry 4068943

Preview

Coordinates	4068943.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H52 Br4 Hg2 N12 O4 S2
Calculated formula	C44 H48 Br4 Hg2 N12 O4 S2
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	37.779 ± 0.006 Å
b	27.298 ± 0.004 Å
c	22.682 ± 0.004 Å
α	90°
β	116.164 ± 0.003°
γ	90°
Cell volume	20995 ± 6 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	0.1341
Residual factor for significantly intense reflections	0.0666
Weighted residual factors for significantly intense reflections	0.1665
Weighted residual factors for all reflections included in the refinement	0.1843
Goodness-of-fit parameter for all reflections included in the refinement	0.934
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.	4068943.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4068943.cif
40054	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 4068943, 4068944, 4068945, 4068946, 4068947, 4068948 via cif-deposit CGI script.	4068943.cif