Crystallography Open Database

Information card for entry 4068792

Preview

Coordinates	4068792.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	in paper 4a
Formula	C30 H42 B Li N4 O
Calculated formula	C30 H42 B Li N4 O
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	18.592 ± 0.0008 Å
b	16.6504 ± 0.0007 Å
c	19.6531 ± 0.0009 Å
α	90°
β	93.19 ± 0.001°
γ	90°
Cell volume	6074.5 ± 0.5 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1242
Residual factor for significantly intense reflections	0.0589
Weighted residual factors for significantly intense reflections	0.1318
Weighted residual factors for all reflections included in the refinement	0.1684
Goodness-of-fit parameter for all reflections included in the refinement	1.022
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178577 (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 4/06/87.	4068792.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4068792.cif
39976	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 4068792, 4068793, 4068794, 4068795 via cif-deposit CGI script.	4068792.cif