Crystallography Open Database

Information card for entry 7063894

Preview

Coordinates	7063894.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H22 Cl4 N4 Zn
Calculated formula	C30 H22 Cl4 N4 Zn
Title of publication	Zn–N3 complexes for the cycloaddition of epoxides with CO2 at atmospheric pressure
Authors of publication	Li, Mengmeng; Du, Zhi-Hong; Bo, Chunbo; Li, Min; Chen, Fei; Liu, Ning
Journal of publication	New Journal of Chemistry
Year of publication	2025
Journal volume	49
Journal issue	30
Pages of publication	13125 - 13135
a	13.7455 ± 0.0014 Å
b	11.5943 ± 0.0012 Å
c	18.7396 ± 0.0019 Å
α	90°
β	100.723 ± 0.007°
γ	90°
Cell volume	2934.4 ± 0.5 Å³
Cell temperature	297 K
Ambient diffraction temperature	297 K
Number of distinct elements	5
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	0.0891
Residual factor for significantly intense reflections	0.0619
Weighted residual factors for significantly intense reflections	0.1565
Weighted residual factors for all reflections included in the refinement	0.1811
Goodness-of-fit parameter for all reflections included in the refinement	1.04
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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