Crystallography Open Database

Information card for entry 4103310

Preview

Coordinates	4103310.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H60 Al Li N2 O2
Calculated formula	C38 H60 Al Li N2 O2
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	10.3408 ± 0.0009 Å
b	10.4182 ± 0.0009 Å
c	19.7667 ± 0.0018 Å
α	86.39 ± 0.001°
β	79.507 ± 0.001°
γ	72.255 ± 0.001°
Cell volume	1994.2 ± 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	0.1758
Residual factor for significantly intense reflections	0.0618
Weighted residual factors for significantly intense reflections	0.1251
Weighted residual factors for all reflections included in the refinement	0.166
Goodness-of-fit parameter for all reflections included in the refinement	1.004
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.	4103310.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4103310.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4103310.cif
26291	2011-09-21	../uploads/cif-deposit/cod/cif Adding structures of 4103310 via cif-deposit CGI script.	4103310.cif