Crystallography Open Database

Information card for entry 4347917

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Structure parameters

Formula	C27 H39 Ce F3 N3 Si3
Calculated formula	C27 H39 Ce F3 N3 Si3
SMILES	[Ce]123(N([Si](C)(C)C)c4c(cccc4)[F]1)(N([Si](C)(C)C)c1c(cccc1)[F]2)N([Si](C)(C)C)c1c(cccc1)[F]3
Title of publication	Cerium(III) and Uranium(IV) Complexes of the 2-Fluorophenyl Trimethylsilyl Amide Ligand: C-F → Ln/An Interactions that Modulate the Coordination Spheres of f-Block Elements.
Authors of publication	Yin, Haolin; Carroll, Patrick J.; Schelter, Eric J.
Journal of publication	Inorganic chemistry
Year of publication	2016
Journal volume	55
Journal issue	11
Pages of publication	5684 - 5692
a	10.4413 ± 0.0004 Å
b	11.5353 ± 0.0005 Å
c	26.7685 ± 0.0012 Å
α	90°
β	90.139 ± 0.002°
γ	90°
Cell volume	3224.1 ± 0.2 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 ± 1 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	0.0243
Residual factor for significantly intense reflections	0.0205
Weighted residual factors for significantly intense reflections	0.0623
Weighted residual factors for all reflections included in the refinement	0.0775
Goodness-of-fit parameter for all reflections included in the refinement	1.337
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.	4347917.cif
232587	2019-11-23	cif/ Adding structures of 4347917, 4347918, 4347919, 4347920, 4347921, 4347922 via cif-deposit CGI script.	4347917.cif