Crystallography Open Database

Information card for entry 7713352

Preview

Coordinates	7713352.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H50 F5 N3 O Zn
Calculated formula	C46 H50 F5 N3 O Zn
SMILES	[Zn]123([F]c4c(O1)c(F)c(F)c(F)c4F)N1C(C(=[N]2c2c(cccc2C(C)C)C(C)C)C)=CC(C=C1C(=[N]3c1c(cccc1C(C)C)C(C)C)C)Cc1ccccc1
Title of publication	Ligand and Metal-Centred Reactivity in 2,6-bis(imino)-1,4-dihydropyridinate Zn(II) alkyls: the dual behaviour of an intriguing type of complex.
Authors of publication	Delgado-Collado, Juan Manuel; Gallardo-Villagrán, Manuel; Alvarez González, Eleuterio; Campora, Juan; Rodríguez Delgado, Antonio
Journal of publication	Dalton Transactions
Year of publication	2023
a	12.1701 ± 0.0014 Å
b	16.7089 ± 0.0018 Å
c	21.257 ± 0.002 Å
α	90°
β	103.129 ± 0.005°
γ	90°
Cell volume	4209.6 ± 0.8 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	6
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	0.1383
Residual factor for significantly intense reflections	0.0989
Weighted residual factors for significantly intense reflections	0.2411
Weighted residual factors for all reflections included in the refinement	0.2701
Goodness-of-fit parameter for all reflections included in the refinement	0.894
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
284761 (current)	2023-07-04	cif/ Adding structures of 7713352, 7713353, 7713354 via cif-deposit CGI script.	7713352.cif