Crystallography Open Database

Information card for entry 1513032

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Structure parameters

Formula	C74 H122 Ce N4 O6
Calculated formula	C74 H122 Ce N4 O6
SMILES	[Ce]1234(Oc5c(cc(cc5C(C)(C)C)C(C)(C)C)C[N]3(Cc3c(O1)c(cc(c3)C(C)(C)C)C(C)(C)C)CCCN(C)C)Oc1c(cc(cc1C(C)(C)C)C(C)(C)C)C[N]4(Cc1c(O2)c(cc(c1)C(C)(C)C)C(C)(C)C)CCCN(C)C.O(C)CCOC
Title of publication	Synthesis and crystal structures of cerium(IV) complexes with 8-quinolinolate and amine bis(phenolate) ligands
Authors of publication	Li Li; Fugen Yuan; Tingting Li; Yuan Zhou; Manman Zhang
Journal of publication	Inorganica Chimica Acta
Year of publication	2013
Journal volume	397
Pages of publication	69 - 74
a	18.4201 ± 0.0014 Å
b	21.33 ± 0.0016 Å
c	21.487 ± 0.0017 Å
α	100.489 ± 0.001°
β	96.276 ± 0.001°
γ	113.286 ± 0.001°
Cell volume	7469.8 ± 1 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1005
Residual factor for significantly intense reflections	0.0534
Weighted residual factors for significantly intense reflections	0.1221
Weighted residual factors for all reflections included in the refinement	0.1486
Goodness-of-fit parameter for all reflections included in the refinement	1.047
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
301776 (current)	2025-08-18	Add cross-references to PubChem compounds in COD range 1/51 Each referenced PubChem compound corresponds to the full crystal structure.	1513032.cif
176729	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 1.	1513032.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1513032.cif
91358	2013-12-12	cif/ Adding structures of 1513032 via cif-deposit CGI script.	1513032.cif