Crystallography Open Database

Information card for entry 7060744

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Coordinates	7060744.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C55 H69 Cl2 Lu N2 O6
Calculated formula	C55 H69 Cl2 Lu N2 O6
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	12.8865 ± 0.0005 Å
b	12.8865 ± 0.0005 Å
c	29.8955 ± 0.0017 Å
α	90°
β	90°
γ	90°
Cell volume	4964.5 ± 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	0.1098
Residual factor for significantly intense reflections	0.07
Weighted residual factors for significantly intense reflections	0.1538
Weighted residual factors for all reflections included in the refinement	0.1728
Goodness-of-fit parameter for all reflections included in the refinement	1.093
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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