Crystallography Open Database

Information card for entry 8000141

Preview

Coordinates	8000141.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H37 Ce O10
Calculated formula	C25 H37 Ce O10
SMILES	[Ce]123(OC(=CC(=[O]1)C)C)(OC(=CC(=[O]2)C)C)(OC(=CC(=[O]3)C)C)([O]=C(C)C=C(O)C)[O]=C(C=C(O)C)C
Title of publication	A Dimeric Cerium(III) Acetylacetonate Complex Containing Intramolecular and Intermolecular Hydrogen Bond
Authors of publication	Bai, Fenghua; Su, Haiquan; Chang, Fei
Journal of publication	Chemistry Letters
Year of publication	2007
Journal volume	36
Journal issue	9
Pages of publication	1104
a	14.778 ± 0.003 Å
b	11.618 ± 0.002 Å
c	17.513 ± 0.004 Å
α	90°
β	95.58 ± 0.03°
γ	90°
Cell volume	2992.6 ± 1.1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
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	0.1143
Residual factor for significantly intense reflections	0.0401
Weighted residual factors for significantly intense reflections	0.0793
Weighted residual factors for all reflections included in the refinement	0.0905
Goodness-of-fit parameter for all reflections included in the refinement	0.88
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
211175 (current)	2018-09-26	cif/ Removing _chemical_name_systematic and _chemical_name_common data items with placeholder values from 513 entries in range 8.	8000141.cif
176728	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8.	8000141.cif
94289	2014-01-22	cif/ Adding structures of 8000141 via cif-deposit CGI script.	8000141.cif