Crystallography Open Database

Information card for entry 4064340

Preview

Coordinates	4064340.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C69 H106 B4 Li2 N4 O2
Calculated formula	C69 H106 B4 Li2 N4 O2
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	9.4058 ± 0.0008 Å
b	12.2229 ± 0.0011 Å
c	15.9291 ± 0.0014 Å
α	96.162 ± 0.001°
β	104.968 ± 0.001°
γ	96.359 ± 0.001°
Cell volume	1740.6 ± 0.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1021
Residual factor for significantly intense reflections	0.0577
Weighted residual factors for significantly intense reflections	0.1506
Weighted residual factors for all reflections included in the refinement	0.1773
Goodness-of-fit parameter for all reflections included in the refinement	1.021
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.	4064340.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4064340.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4064340.cif
32865	2012-02-10	../uploads/cif-deposit/cod/cif Adding structures of 4064340 via cif-deposit CGI script.	4064340.cif