Crystallography Open Database

Information card for entry 2214243

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Structure parameters

Chemical name	{6,6'-diethoxy-2,2'-[ethane-1,2-diylbis(nitrilomethylidyne)]diphenolato- 1κ^2^O^1^,O^1'^,O^6^,O^6'^:2κ^2^O^1^,N,N',O^1'^}trinitrato-1κ^O,O'- samarium(III)copper(II)
Formula	C20 H22 Cu N5 O13 Sm
Calculated formula	C20 H22 Cu N5 O13 Sm
SMILES	[Sm]123456([O]7[Cu]89[N](=Cc%10c7c([O]1CC)ccc%10)CC[N]9=Cc1c(c([O]4CC)ccc1)[O]38)(ON(=O)=[O]2)(ON(=[O]5)=O)ON(=[O]6)=O
Title of publication	{6,6'-Diethoxy-2,2'-[ethane-1,2-diylbis(nitrilomethylidyne)]diphenolato}trinitratosamarium(III)copper(II)
Authors of publication	Sui, Yan; He, De-Yong; Fang, Xiao-Niu; Chen, Li; Peng, Jia-Long
Journal of publication	Acta Crystallographica Section E
Year of publication	2007
Journal volume	63
Journal issue	7
Pages of publication	m2013 - m2014
a	8.6208 ± 0.0008 Å
b	13.8333 ± 0.0013 Å
c	21.151 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	2522.3 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0289
Residual factor for significantly intense reflections	0.0223
Weighted residual factors for significantly intense reflections	0.0471
Weighted residual factors for all reflections included in the refinement	0.0482
Goodness-of-fit parameter for all reflections included in the refinement	1
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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