Crystallography Open Database

Information card for entry 4121697

Preview

Coordinates	4121697.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H70 Cu N2
Calculated formula	C44 H70 Cu N2
Title of publication	Isolation of Neutral Mononuclear Copper Complexes Stabilized by Two Cyclic (Alkyl)(amino)carbenes.
Authors of publication	Weinberger, David S.; Amin Sk, Nurul; Mondal, Kartik Chandra; Melaimi, Mohand; Bertrand, Guy; Stückl, A Claudia; Roesky, Herbert W.; Dittrich, Birger; Demeshko, Serhiy; Schwederski, Brigitte; Kaim, Wolfgang; Jerabek, Paul; Frenking, Gernot
Journal of publication	Journal of the American Chemical Society
Year of publication	2014
Journal volume	136
Journal issue	17
Pages of publication	6235 - 6238
a	9.5174 ± 0.0003 Å
b	12.0455 ± 0.0003 Å
c	17.6337 ± 0.0005 Å
α	86.172 ± 0.002°
β	84.756 ± 0.002°
γ	76.646 ± 0.002°
Cell volume	1956.49 ± 0.1 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0379
Residual factor for significantly intense reflections	0.0314
Weighted residual factors for significantly intense reflections	0.0795
Weighted residual factors for all reflections included in the refinement	0.083
Goodness-of-fit parameter for all reflections included in the refinement	1.065
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
179018 (current)	2016-03-22	cif/4/12/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/12/16.	4121697.cif
112744	2014-05-04	cif/ Updating files of 4121695, 4121696, 4121697 Original log message: Adding full bibliography for 4121695--4121697.cif.	4121697.cif
109963	2014-04-18	cif/ Adding structures of 4121697 via cif-deposit CGI script.	4121697.cif