Crystallography Open Database

Information card for entry 7713353

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Coordinates	7713353.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H49 F18 N3 O2 Zn
Calculated formula	C48 H49 F18 N3 O2 Zn
SMILES	[Zn]1(OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)(OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)[n]2c(cc(cc2/C(=N/c2c(cccc2C(C)C)C(C)C)C)Cc2ccccc2)C(=[N]1c1c(cccc1C(C)C)C(C)C)C
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	10.6039 ± 0.0005 Å
b	12.8166 ± 0.0008 Å
c	18.7166 ± 0.0011 Å
α	90°
β	102.083 ± 0.002°
γ	90°
Cell volume	2487.3 ± 0.2 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	6
Space group number	7
Hermann-Mauguin space group symbol	P 1 n 1
Hall space group symbol	P -2yac
Residual factor for all reflections	0.0716
Residual factor for significantly intense reflections	0.0549
Weighted residual factors for significantly intense reflections	0.1237
Weighted residual factors for all reflections included in the refinement	0.1321
Goodness-of-fit parameter for all reflections included in the refinement	1.042
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.	7713353.cif