Crystallography Open Database

Information card for entry 7043326

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Structure parameters

Chemical name	1_Sm
Formula	C37 H50 N3 O4 Sm
Calculated formula	C37 H50 N3 O4 Sm
SMILES	[Sm]12345(Oc6c(C[N]73CC[N]4(CC[N]5(CC7)Cc3c(O2)c(cc(c3)C)C)Cc2c(O1)c(cc(c2)C)C)cc(cc6C)C)[O]1CCCC1
Title of publication	Luminescent Tb(III) and Sm(III) complexes with a 1,4,7-triazacyclononane-based tris-aryloxide ligand for high-performance oxygen sensors
Authors of publication	Nakai, Hidetaka; Kuyama, Masafumi; Seo, Juncheol; Goto, Takahiro; Matsumoto, Takahiro; Ogo, Seiji
Journal of publication	Dalton Trans.
Year of publication	2017
a	7.93 ± 0.003 Å
b	14.405 ± 0.005 Å
c	16.407 ± 0.004 Å
α	68.23 ± 0.011°
β	76.869 ± 0.014°
γ	84.941 ± 0.014°
Cell volume	1695 ± 1 Å³
Cell temperature	93 K
Ambient diffraction temperature	93 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	0.0331
Residual factor for significantly intense reflections	0.0305
Weighted residual factors for significantly intense reflections	0.0682
Weighted residual factors for all reflections included in the refinement	0.0699
Goodness-of-fit parameter for all reflections included in the refinement	1.099
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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