Crystallography Open Database

Information card for entry 7242910

Preview

Coordinates	7242910.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H23 Br2 Cd N5 O
Calculated formula	C17 H23 Br2 Cd N5 O
SMILES	[Cd]12(Br)(Br)[n]3n(c(cc3C)C)C[N]1(Cn1[n]2c(cc1C)C)Cc1ccco1
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	11.5549 ± 0.0009 Å
b	14.9462 ± 0.0011 Å
c	12.0964 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	2089.1 ± 0.3 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	6
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.045
Residual factor for significantly intense reflections	0.0305
Weighted residual factors for significantly intense reflections	0.0717
Weighted residual factors for all reflections included in the refinement	0.0933
Goodness-of-fit parameter for all reflections included in the refinement	1.065
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
265496 (current)	2021-05-26	cif/ Adding structures of 7242910, 7242911, 7242912, 7242913, 7242914, 7242915 via cif-deposit CGI script.	7242910.cif