Crystallography Open Database

Information card for entry 7111585

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Structure parameters

Formula	C42 H50 N4
Calculated formula	C42 H50 N4
SMILES	N(/C(C)=C(C(=N\c1c(cccc1C)C)\C)/C(=C(/Nc1c(cccc1C)C)C)C(=N\c1c(cccc1C)C)\C)c1c(cccc1C)C
Title of publication	New reaction of β-diketiminatoeuropium complex: sterically induced oxidation–coupling of β-diketiminato ligands
Authors of publication	Jiao, Rui; Shen, Xiaodong; Xue, Mingqiang; Zhang, Yong; Yao, Yingming; Shen, Qi
Journal of publication	Chemical Communications
Year of publication	2010
Journal volume	46
Journal issue	23
Pages of publication	4118 - 4120
a	15.828 ± 0.002 Å
b	22.036 ± 0.003 Å
c	22.213 ± 0.003 Å
α	90°
β	106.104 ± 0.004°
γ	90°
Cell volume	7443.6 ± 1.7 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	3
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	0.1115
Residual factor for significantly intense reflections	0.0795
Weighted residual factors for significantly intense reflections	0.1784
Weighted residual factors for all reflections included in the refinement	0.1958
Goodness-of-fit parameter for all reflections included in the refinement	1.12
Diffraction radiation wavelength	0.71075 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.	7111585.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.	7111585.cif
96677	2014-01-29	cif/ Adding structures of 7111583, 7111584, 7111585 via cif-deposit CGI script.	7111585.cif