Crystallography Open Database

Information card for entry 1546066

Preview

Coordinates	1546066.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H24 B Cl2 Cu F4 N6
Calculated formula	C25 H24 B Cl2 Cu F4 N6
SMILES	[Cu]12([n]3ccccc3C=[N]1c1ccc(N)cc1)[n]1ccccc1C=[N]2c1ccc(N)cc1.[B](F)(F)(F)[F-].ClCCl
Title of publication	New copper (I) complex based initiating systems in redox polymerization and comparison with amine/benzoyl peroxide reference
Authors of publication	Lalevée, Jacques; Dietlin, Céline; Morlet-Savary, Fabrice; Fouassier, Jean Pierre; Gigmes, Didier; Dumur, Frederic; Kermagoret, Anthony; Garra, Patxi; Mousawi, Assi
Journal of publication	Polym. Chem.
Year of publication	2017
a	11.15632 ± 0.00015 Å
b	11.63305 ± 0.00016 Å
c	22.483 ± 0.0003 Å
α	90°
β	102.758 ± 0.0013°
γ	90°
Cell volume	2845.85 ± 0.07 Å³
Cell temperature	173.01 ± 0.1 K
Ambient diffraction temperature	173.01 ± 0.1 K
Number of distinct elements	7
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	0.0481
Residual factor for significantly intense reflections	0.0437
Weighted residual factors for significantly intense reflections	0.1208
Weighted residual factors for all reflections included in the refinement	0.1254
Goodness-of-fit parameter for all reflections included in the refinement	1.043
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
196751 (current)	2017-05-18	cif/ Adding structures of 1546066, 1546067 via cif-deposit CGI script.	1546066.cif