Crystallography Open Database

Information card for entry 4347558

Preview

Structure parameters

Formula	C12 H10 F10 N2 O2
Calculated formula	C12 H10 F10 N2 O2
SMILES	C(N/C=C\C(=O)C(C(F)(F)F)(F)F)CN/C=C\C(=O)C(C(F)(F)F)(F)F
Title of publication	Fluorinated Cerium(IV) Enaminolates: Alternative Precursors for Chemical Vapor Deposition of CeO2 Thin Films.
Authors of publication	Schläfer, J; Graf, D.; Fornalczyk, G.; Mettenbörger, A; Mathur, S.
Journal of publication	Inorganic chemistry
Year of publication	2016
Journal volume	55
Journal issue	11
Pages of publication	5422 - 5429
a	13.329 ± 0.004 Å
b	6.542 ± 0.005 Å
c	17.975 ± 0.006 Å
α	90°
β	94.41 ± 0.04°
γ	90°
Cell volume	1562.7 ± 1.4 Å³
Cell temperature	170 ± 2 K
Ambient diffraction temperature	170 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	I 1 2/c 1
Hall space group symbol	-I 2yc
Residual factor for all reflections	0.044
Residual factor for significantly intense reflections	0.0349
Weighted residual factors for significantly intense reflections	0.0878
Weighted residual factors for all reflections included in the refinement	0.0946
Goodness-of-fit parameter for all reflections included in the refinement	1.066
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
301840 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 4/34/ Each referenced PubChem compound corresponds to the full crystal structure.	4347558.cif
232381	2019-11-23	cif/ Adding structures of 4347557, 4347558, 4347559, 4347560, 4347561 via cif-deposit CGI script.	4347558.cif