Crystallography Open Database

Information card for entry 4087821

Preview

Coordinates	4087821.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	carbenoid copper complex
Formula	C35 H52 Cl Cu N2
Calculated formula	C35 H52 Cl Cu N2
Title of publication	Development of N-Heterocyclic Carbene‒Copper Complexes for 1,3-Halogen Migration
Authors of publication	Schmid, Steven C.; Van Hoveln, Ryan; Rigoli, Jared W.; Schomaker, Jennifer M.
Journal of publication	Organometallics
Year of publication	2015
Journal volume	34
Journal issue	16
Pages of publication	4164
a	23.4669 ± 0.0005 Å
b	15.9665 ± 0.0003 Å
c	36.3909 ± 0.0008 Å
α	90°
β	98.216 ± 0.001°
γ	90°
Cell volume	13495.2 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 K
Number of distinct elements	5
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	0.044
Residual factor for significantly intense reflections	0.0369
Weighted residual factors for significantly intense reflections	0.0935
Weighted residual factors for all reflections included in the refinement	0.0978
Goodness-of-fit parameter for all reflections included in the refinement	1.081
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Diffraction radiation X-ray symbol	K-L~3~
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
237025 (current)	2019-11-24	cif/ Adding structures of 4087821 via cif-deposit CGI script.	4087821.cif