Crystallography Open Database

Information card for entry 4104075

Preview

Coordinates	4104075.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	{[BP2]Cu(NTol2)}{Li(12-crown-4)2}
Formula	C70.57 H118.12 B Cu Li N O10.02 P2
Calculated formula	C70.568 H118.12 B Cu Li N O10.019 P2
Title of publication	Three-Coordinate Copper(I) Amido and Aminyl Radical Complexes
Authors of publication	Neal P. Mankad; William E. Antholine; Robert K. Szilagyi; Jonas C. Peters
Journal of publication	Journal of the American Chemical Society
Year of publication	2009
Journal volume	131
Pages of publication	3878 - 3880
a	12.9114 ± 0.0009 Å
b	16.8578 ± 0.0012 Å
c	17.6005 ± 0.0012 Å
α	79.481 ± 0.001°
β	74.323 ± 0.001°
γ	80.225 ± 0.001°
Cell volume	3596.9 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.082
Residual factor for significantly intense reflections	0.0518
Weighted residual factors for significantly intense reflections	0.1274
Weighted residual factors for all reflections included in the refinement	0.1458
Goodness-of-fit parameter for all reflections included in the refinement	1.015
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
178786 (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 4/10/40.	4104075.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4104075.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4104075.cif
28582	2011-10-29	../uploads/cif-deposit/cod/cif Adding structures of 4104075 via cif-deposit CGI script.	4104075.cif