Crystallography Open Database

Information card for entry 4104076

Preview

Coordinates	4104076.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[BP2]Cu(NTol2)
Formula	C52.42 H80.84 B Cu N P2
Calculated formula	C52.42 H80.84 B Cu N 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	16.3201 ± 0.0018 Å
b	16.3538 ± 0.0018 Å
c	18.849 ± 0.002 Å
α	90°
β	91.277 ± 0.002°
γ	90°
Cell volume	5029.5 ± 0.9 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0807
Residual factor for significantly intense reflections	0.0606
Weighted residual factors for significantly intense reflections	0.1667
Weighted residual factors for all reflections included in the refinement	0.1813
Goodness-of-fit parameter for all reflections included in the refinement	1.282
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.	4104076.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4104076.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4104076.cif
28583	2011-10-29	../uploads/cif-deposit/cod/cif Adding structures of 4104076 via cif-deposit CGI script.	4104076.cif