Crystallography Open Database

Information card for entry 4068793

Preview

Coordinates	4068793.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	in paper 4b
Formula	C34.5 H62 B2 Li2 N8
Calculated formula	C34.5 H62 B2 Li2 N8
Title of publication	New Structural Motifs of Lithium N-Heterocyclic Carbene Complexes with Bis(3-tert-butylimidazol-2-ylidene)dialkylborate Ligands†
Authors of publication	Shishkov, Igor V.; Rominger, Frank; Hofmann, Peter
Journal of publication	Organometallics
Year of publication	2009
Journal volume	28
Journal issue	12
Pages of publication	3532
a	12.0986 ± 0.0001 Å
b	12.0986 ± 0.0001 Å
c	26.0609 ± 0.0001 Å
α	90°
β	90°
γ	90°
Cell volume	3814.69 ± 0.05 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	5
Space group number	86
Hermann-Mauguin space group symbol	P 42/n :2
Hall space group symbol	-P 4bc
Residual factor for all reflections	0.0739
Residual factor for significantly intense reflections	0.0419
Weighted residual factors for significantly intense reflections	0.1019
Weighted residual factors for all reflections included in the refinement	0.1184
Goodness-of-fit parameter for all reflections included in the refinement	1.014
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4068793.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4068793.cif
39976	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 4068792, 4068793, 4068794, 4068795 via cif-deposit CGI script.	4068793.cif