Crystallography Open Database

Information card for entry 4327401

Preview

Coordinates	4327401.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	{[Me2NN]Cu}2
Formula	C42 H50 Cu2 N4
Calculated formula	C42 H50 Cu2 N4
Title of publication	Cu(I) β-Diketiminates for Alkene Aziridination: Reversible CuArene Binding and Catalytic Nitrene Transfer from PhINTs
Authors of publication	Latasha D. Amisial; Xuliang Dai; R. Adam Kinney; Ammani Krishnaswamy; Timothy H. Warren
Journal of publication	Inorganic Chemistry
Year of publication	2004
Journal volume	43
Pages of publication	6537 - 6539
a	11.1579 ± 0.0012 Å
b	36.103 ± 0.005 Å
c	15.268 ± 0.002 Å
α	90°
β	104.511 ± 0.003°
γ	90°
Cell volume	5954.3 ± 1.3 Å³
Cell temperature	190 ± 2 K
Ambient diffraction temperature	190 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1035
Residual factor for significantly intense reflections	0.0585
Weighted residual factors for significantly intense reflections	0.1289
Weighted residual factors for all reflections included in the refinement	0.1408
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
179377 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/74.	4327401.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4327401.cif
61172	2012-06-25	cif/ Adding structures of 4327401 via cif-deposit CGI script.	4327401.cif