Crystallography Open Database

Information card for entry 7063895

Preview

Coordinates	7063895.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H12 Cl2 N4 Zn
Calculated formula	C17 H12 Cl2 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	11.2951 ± 0.0012 Å
b	8.832 ± 0.0008 Å
c	16.7065 ± 0.0016 Å
α	90°
β	95.713 ± 0.003°
γ	90°
Cell volume	1658.3 ± 0.3 Å³
Cell temperature	296.15 K
Ambient diffraction temperature	296.15 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	0.2325
Residual factor for significantly intense reflections	0.14
Weighted residual factors for significantly intense reflections	0.2619
Weighted residual factors for all reflections included in the refinement	0.3072
Goodness-of-fit parameter for all reflections included in the refinement	1.099
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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