Crystallography Open Database

Information card for entry 1564968

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Coordinates	1564968.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H23 Fe I N2 Te
Calculated formula	C22 H23 Fe I N2 Te
SMILES	[I-].[Te](CC[n+]1cn(cc1)C[c]12[Fe]3456789([cH]1[cH]3[cH]4[cH]25)[cH]1[cH]6[cH]7[cH]8[cH]91)c1ccccc1
Title of publication	Ferrocenylated Chalcogen (Se and Te)-containing N-heterocyclic carbenes: Selenones, silver and palladium complexes
Authors of publication	Gonzalez, Rodary; Azpiroz, Ramón; Sharma, Pankaj; Villamizar C, Claudia P.; Anzaldo, Bertin; Pérez-Flores, Francisco J.; Toscano, Ruben Alfredo
Journal of publication	Inorganica Chimica Acta
Year of publication	2020
Journal volume	506
Pages of publication	119531
a	8.8989 ± 0.0014 Å
b	23.167 ± 0.004 Å
c	11.1057 ± 0.0016 Å
α	90°
β	101.824 ± 0.005°
γ	90°
Cell volume	2241 ± 0.6 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0853
Residual factor for significantly intense reflections	0.0481
Weighted residual factors for significantly intense reflections	0.0859
Weighted residual factors for all reflections included in the refinement	0.0963
Goodness-of-fit parameter for all reflections included in the refinement	1.111
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
269992 (current)	2021-10-18	cif/ Adding structures of 1564968 via cif-deposit CGI script.	1564968.cif