Crystallography Open Database

Information card for entry 7060745

Preview

Coordinates	7060745.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C47 H53 Cl2 N2 O4 Yb
Calculated formula	C47 H53 Cl2 N2 O4 Yb
Title of publication	Cycloaddition of carbon dioxide and epoxides catalyzed by rare earth metal complexes bearing a Trost ligand
Authors of publication	Cheng, Jun; Lu, Chengrong; Zhao, Bei
Journal of publication	New Journal of Chemistry
Year of publication	2021
Journal volume	45
Journal issue	29
Pages of publication	13096 - 13103
a	12.9011 ± 0.0005 Å
b	12.9011 ± 0.0005 Å
c	29.9105 ± 0.0016 Å
α	90°
β	90°
γ	90°
Cell volume	4978.3 ± 0.4 Å³
Cell temperature	296.15 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	6
Space group number	96
Hermann-Mauguin space group symbol	P 43 21 2
Hall space group symbol	P 4nw 2abw
Residual factor for all reflections	0.0837
Residual factor for significantly intense reflections	0.0671
Weighted residual factors for significantly intense reflections	0.1542
Weighted residual factors for all reflections included in the refinement	0.1652
Goodness-of-fit parameter for all reflections included in the refinement	1.048
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7060745.html