Crystallography Open Database

Information card for entry 4066691

Preview

Coordinates	4066691.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H38 Cl3 F6 N2 Sb
Calculated formula	C28 H38 Cl3 F6 N2 Sb
Title of publication	Unexpected C(carbene)-X (X: I, Br, Cl) Reductive Elimination From N-Heterocyclic Carbene Copper Halide Complexes Under Oxidative Conditions.
Authors of publication	Lin, Bo-Lin; Kang, Peng; Stack, T Daniel P
Journal of publication	Organometallics
Year of publication	2010
Journal volume	29
Journal issue	17
Pages of publication	3683 - 3685
a	10.3722 ± 0.0001 Å
b	11.1818 ± 0.0001 Å
c	16.0498 ± 0.0002 Å
α	77.68 ± 0.001°
β	75.882 ± 0.001°
γ	66.338 ± 0.001°
Cell volume	1639.43 ± 0.03 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0308
Residual factor for significantly intense reflections	0.029
Weighted residual factors for significantly intense reflections	0.072
Weighted residual factors for all reflections included in the refinement	0.0733
Goodness-of-fit parameter for all reflections included in the refinement	1.032
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178558 (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 4/06/66.	4066691.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4066691.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4066691.cif
33960	2012-02-13	../uploads/cif-deposit/cod/cif Adding structures of 4066688, 4066689, 4066690, 4066691 via cif-deposit CGI script.	4066691.cif