Crystallography Open Database

Information card for entry 7061715

Preview

Coordinates	7061715.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C115 H173 Cl3 N6 O10 Y2
Calculated formula	C99 H141 Cl3 N6 O6 Y2
Title of publication	Carboxylation of terminal alkynes with CO2 catalyzed by imidazolium-bridged bis(phenolato) rare-earth metal complexes
Authors of publication	Shi, Kai; Lu, Chengrong; Zhao, Bei
Journal of publication	New Journal of Chemistry
Year of publication	2022
Journal volume	46
Journal issue	35
Pages of publication	16998 - 17003
a	14.5969 ± 0.0006 Å
b	24.3651 ± 0.0011 Å
c	31.8323 ± 0.0012 Å
α	90°
β	96.598 ± 0.002°
γ	90°
Cell volume	11246.3 ± 0.8 Å³
Cell temperature	119.96 K
Ambient diffraction temperature	119.96 K
Number of distinct elements	6
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	0.1007
Residual factor for significantly intense reflections	0.0552
Weighted residual factors for significantly intense reflections	0.1075
Weighted residual factors for all reflections included in the refinement	0.123
Goodness-of-fit parameter for all reflections included in the refinement	1.032
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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