Crystallography Open Database

Information card for entry 7060746

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Coordinates	7060746.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C47 H51 Cl2 N2 O4 Sm
Calculated formula	C47 H53 Cl2 N2 O4 Sm
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	12.9665 ± 0.0012 Å
b	12.9771 ± 0.0012 Å
c	30.056 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	5057.4 ± 0.8 Å³
Cell temperature	296.15 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.1485
Residual factor for significantly intense reflections	0.1025
Weighted residual factors for significantly intense reflections	0.2417
Weighted residual factors for all reflections included in the refinement	0.2686
Goodness-of-fit parameter for all reflections included in the refinement	1.037
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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