Crystallography Open Database

Information card for entry 4104077

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Structure parameters

Formula	C42 H59 B Cu N P2
Calculated formula	C42 H59 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	10.575 ± 0.015 Å
b	21.6 ± 0.03 Å
c	16.5 ± 0.02 Å
α	90°
β	96.41 ± 0.02°
γ	90°
Cell volume	3745 ± 9 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	293 ± 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	0.2077
Residual factor for significantly intense reflections	0.1187
Weighted residual factors for significantly intense reflections	0.2839
Weighted residual factors for all reflections included in the refinement	0.3511
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	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301832 (current)	2025-08-20	Add cross-references to PubChem compounds in COD range 4/10/ Each referenced PubChem compound corresponds to the full crystal structure.	4104077.cif
178786	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.	4104077.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4104077.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4104077.cif
28584	2011-10-29	../uploads/cif-deposit/cod/cif Adding structures of 4104077 via cif-deposit CGI script.	4104077.cif