Crystallography Open Database

Information card for entry 7240389

Preview

Coordinates	7240389.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H19 Cl2 Cu N3
Calculated formula	C13 H19 Cl2 Cu N3
SMILES	[Cu]12(Cl)(Cl)[N]3(CCCCC3)CC[N]1=Cc1cccc[n]21
Title of publication	Stereoselective polymerization of methyl methacrylate and rac-lactide mediated by iminomethylpyridine based Cu(ii) complexes
Authors of publication	Lee, Jaegyeong; Yoon, Minyoung; Lee, Hyosun; Nayab, Saira
Journal of publication	RSC Advances
Year of publication	2020
Journal volume	10
Journal issue	27
Pages of publication	16209 - 16220
a	11.3629 ± 0.0019 Å
b	6.8532 ± 0.0011 Å
c	19.328 ± 0.003 Å
α	90°
β	104.988 ± 0.004°
γ	90°
Cell volume	1453.9 ± 0.4 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1051
Residual factor for significantly intense reflections	0.0431
Weighted residual factors for significantly intense reflections	0.083
Weighted residual factors for all reflections included in the refinement	0.1178
Goodness-of-fit parameter for all reflections included in the refinement	1.029
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
257984 (current)	2020-10-06	cif/ Updating files of 7240388, 7240389, 7240390, 7240391 Original log message: Adding full bibliography for 7240388--7240391.cif.	7240389.cif
251123	2020-04-24	cif/ Adding structures of 7240388, 7240389, 7240390, 7240391 via cif-deposit CGI script.	7240389.cif