Crystallography Open Database

Information card for entry 7111507

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Structure parameters

Formula	C52 H96 Ce Li N4 O
Calculated formula	C52 H96 Ce Li N4 O
SMILES	[Ce]1([N]([Li]([O]2CCCC2)[N]1(C1CCCCC1)C1CCCCC1)(C1CCCCC1)C1CCCCC1)(N(C1CCCCC1)[CH]1CCCCC1)N(C1CCCCC1)C1CCCCC1
Title of publication	Facile formation of a homoleptic Ce(iv) amide via aerobic oxidation
Authors of publication	Hitchcock, Peter B.; Lappert, Michael F.; Protchenko, Andrey V.
Journal of publication	Chemical Communications
Year of publication	2006
Journal issue	33
Pages of publication	3546 - 3548
a	15.1681 ± 0.0003 Å
b	19.1024 ± 0.0004 Å
c	18.1727 ± 0.0003 Å
α	90°
β	96.822 ± 0.001°
γ	90°
Cell volume	5228.21 ± 0.17 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0593
Residual factor for significantly intense reflections	0.0352
Weighted residual factors for significantly intense reflections	0.0656
Weighted residual factors for all reflections included in the refinement	0.073
Goodness-of-fit parameter for all reflections included in the refinement	0.997
Diffraction radiation probe	x-ray
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
301857 (current)	2025-08-22	Add cross-references to PubChem compounds in COD range 7/11/ Each referenced PubChem compound corresponds to the full crystal structure.	7111507.cif
180229	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/15.	7111507.cif
96553	2014-01-29	cif/ Adding structures of 7111506, 7111507, 7111508 via cif-deposit CGI script.	7111507.cif