Crystallography Open Database

Information card for entry 7061265

Preview

Coordinates	7061265.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H26 Fe N2 O
Calculated formula	C20 H26 Fe N2 O
SMILES	[Fe]12345678([cH]9[cH]1[cH]2[cH]3[cH]49)[cH]1[cH]5[cH]6[cH]7[c]81C(=O)/C=C(\N[C@H]1[C@H](N)CCCC1)C
Title of publication	Ferrocene functionalized enantiomerically pure Schiff bases and their Zn(ii) and Pd(ii) complexes: a spectroscopic, crystallographic, electrochemical and computational investigation
Authors of publication	Celedón, Salvador; Hamon, Paul; Artigas, Vania; Fuentealba, Mauricio; Kahlal, Samia; Carrillo, David; Saillard, Jean-Yves; Hamon, Jean-René; Manzur, Carolina
Journal of publication	New Journal of Chemistry
Year of publication	2022
Journal volume	46
Journal issue	8
Pages of publication	3948 - 3960
a	7.543 ± 0.0004 Å
b	8.7848 ± 0.0005 Å
c	27.6566 ± 0.0016 Å
α	90°
β	90°
γ	90°
Cell volume	1832.63 ± 0.18 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0553
Residual factor for significantly intense reflections	0.036
Weighted residual factors for significantly intense reflections	0.0706
Weighted residual factors for all reflections included in the refinement	0.0768
Goodness-of-fit parameter for all reflections included in the refinement	1.062
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
273381 (current)	2022-03-05	cif/ Updating files of 7061265, 7061266 Original log message: Adding full bibliography for 7061265--7061266.cif.	7061265.cif
272438	2022-02-03	cif/ Adding structures of 7061265, 7061266 via cif-deposit CGI script.	7061265.cif