Crystallography Open Database

Information card for entry 4064145

Preview

Coordinates	4064145.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H24 Cl2 Hg N2
Calculated formula	C21 H24 Cl2 Hg N2
SMILES	[Hg](Cl)(Cl)=C1N(C=CN1c1c(C)cc(cc1C)C)c1c(C)cc(cc1C)C
Title of publication	“Oxide Route” for the Preparation of Mercury(II) N-Heterocyclic Carbene Complexes
Authors of publication	Pelz, Simon; Mohr, Fabian
Journal of publication	Organometallics
Year of publication	2011
Journal volume	30
Journal issue	3
Pages of publication	383
a	7.9365 ± 0.0004 Å
b	15.8303 ± 0.0007 Å
c	8.5548 ± 0.0004 Å
α	90°
β	99.253 ± 0.004°
γ	90°
Cell volume	1060.82 ± 0.09 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0343
Residual factor for significantly intense reflections	0.0288
Weighted residual factors for significantly intense reflections	0.062
Weighted residual factors for all reflections included in the refinement	0.0631
Goodness-of-fit parameter for all reflections included in the refinement	0.98
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178535 (current)	2016-03-21	cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/41.	4064145.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4064145.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4064145.cif
32800	2012-02-10	../uploads/cif-deposit/cod/cif Adding structures of 4064144, 4064145, 4064146 via cif-deposit CGI script.	4064145.cif