Crystallography Open Database

Information card for entry 7242912

Preview

Coordinates	7242912.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H29 Cl2 N5 Zn
Calculated formula	C21 H29 Cl2 N5 Zn
SMILES	[Zn]1(Cl)([n]2c(cc(n2CN(Cn2[n]1c(cc2C)C)c1ccc(cc1)C(C)C)C)C)Cl
Title of publication	Synthesis, structures, and catalytic efficiency in ring opening polymerization of rac-lactide with tridentate vs. bidentate cobalt(ii), zinc(ii), and cadmium(ii) complexes containing N-substituted N,N-bis((3,5-dimethyl-1H-pyrazol-1-yl)methyl)amine ligands
Authors of publication	Choe, Solhye; Lee, Hyosun; Nayab, Saira
Journal of publication	RSC Advances
Year of publication	2021
Journal volume	11
Journal issue	31
Pages of publication	18840 - 18851
a	12.837 ± 0.003 Å
b	12.585 ± 0.003 Å
c	14.222 ± 0.003 Å
α	90°
β	92.04 ± 0.03°
γ	90°
Cell volume	2296.2 ± 0.9 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.042
Residual factor for significantly intense reflections	0.0386
Weighted residual factors for significantly intense reflections	0.1085
Weighted residual factors for all reflections included in the refinement	0.1105
Goodness-of-fit parameter for all reflections included in the refinement	1.142
Diffraction radiation wavelength	0.61 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
265496 (current)	2021-05-26	cif/ Adding structures of 7242910, 7242911, 7242912, 7242913, 7242914, 7242915 via cif-deposit CGI script.	7242912.cif