Crystallography Open Database

Information card for entry 4079261

Preview

Coordinates	4079261.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50 H66 B Cu F4 N4
Calculated formula	C50 H66 B Cu F4 N4
Title of publication	Heteroleptic Bis(N-heterocyclic carbene)Copper(I) Complexes: Highly Efficient Systems for the [3+2] Cycloaddition of Azides and Alkynes
Authors of publication	Lazreg, Faïma; Slawin, Alexandra M. Z.; Cazin, Catherine S. J.
Journal of publication	Organometallics
Year of publication	2012
Journal volume	31
Journal issue	22
Pages of publication	7969
a	24.371 ± 0.004 Å
b	25.234 ± 0.004 Å
c	31.185 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	19178 ± 5 Å³
Cell temperature	93 ± 2 K
Ambient diffraction temperature	93 ± 2 K
Number of distinct elements	6
Space group number	70
Hermann-Mauguin space group symbol	F d d d :2
Hall space group symbol	-F 2uv 2vw
Residual factor for all reflections	0.1212
Residual factor for significantly intense reflections	0.0813
Weighted residual factors for significantly intense reflections	0.2426
Weighted residual factors for all reflections included in the refinement	0.2803
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	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178681 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/92.	4079261.cif
107967	2014-03-25	cif/4 Changing the entity to the proper non-English character for many entries in subdir 4	4079261.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4079261.cif
72375	2013-01-21	cif/ Adding structures of 4079257, 4079258, 4079259, 4079260, 4079261, 4079262 via cif-deposit CGI script.	4079261.cif