Crystallography Open Database

Information card for entry 4103312

Preview

Coordinates	4103312.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H74 B Li N4
Calculated formula	C46 H74 B Li N4
Title of publication	A Viable Anionic N-Heterocyclic Dicarbene
Authors of publication	Yuzhong Wang; Yaoming Xie; Mariham Y. Abraham; Pingrong Wei; Henry F. Schaefer; Paul v. R. Schleyer; Gregory H. Robinson
Journal of publication	Journal of the American Chemical Society
Year of publication	2010
Journal volume	132
Pages of publication	14370 - 14372
a	13.43 ± 0.002 Å
b	20.533 ± 0.003 Å
c	34.121 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	9409 ± 2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.2127
Residual factor for significantly intense reflections	0.0703
Weighted residual factors for significantly intense reflections	0.1504
Weighted residual factors for all reflections included in the refinement	0.2086
Goodness-of-fit parameter for all reflections included in the refinement	1.001
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
178779 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/33.	4103312.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4103312.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4103312.cif
26293	2011-09-21	../uploads/cif-deposit/cod/cif Adding structures of 4103312 via cif-deposit CGI script.	4103312.cif