Crystallography Open Database

Information card for entry 7061714

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Coordinates	7061714.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C123 H189 Cl3 N6 O12 Yb2
Calculated formula	C99 H141 Cl3 N6 O6 Yb2
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	14.7541 ± 0.0009 Å
b	16.9877 ± 0.001 Å
c	25.1985 ± 0.0015 Å
α	98.378 ± 0.002°
β	97.84 ± 0.002°
γ	100.313 ± 0.002°
Cell volume	6061.1 ± 0.6 Å³
Cell temperature	120.05 K
Ambient diffraction temperature	120.05 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0954
Residual factor for significantly intense reflections	0.0578
Weighted residual factors for significantly intense reflections	0.1433
Weighted residual factors for all reflections included in the refinement	0.1606
Goodness-of-fit parameter for all reflections included in the refinement	1.038
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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