Crystallography Open Database

Information card for entry 4064342

Preview

Coordinates	4064342.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H77 B2 Li N2 O3
Calculated formula	C45 H77 B2 Li N2 O3
Title of publication	Anionic N-Heterocyclic Dicarbene−Borane Binuclear Complexes
Authors of publication	Wang, Yuzhong; Xie, Yaoming; Abraham, Mariham Y.; Wei, Pingrong; Schaefer, Henry F.; Schleyer, Paul v. R.; Robinson, Gregory H.
Journal of publication	Organometallics
Year of publication	2011
Journal volume	30
Journal issue	6
Pages of publication	1303
a	10.798 ± 0.006 Å
b	22.113 ± 0.012 Å
c	20.838 ± 0.011 Å
α	90°
β	101.847 ± 0.008°
γ	90°
Cell volume	4870 ± 5 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1346
Residual factor for significantly intense reflections	0.0646
Weighted residual factors for significantly intense reflections	0.1724
Weighted residual factors for all reflections included in the refinement	0.2163
Goodness-of-fit parameter for all reflections included in the refinement	1.02
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
178537 (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 4/06/43.	4064342.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4064342.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4064342.cif
32867	2012-02-10	../uploads/cif-deposit/cod/cif Adding structures of 4064342 via cif-deposit CGI script.	4064342.cif