Crystallography Open Database

Information card for entry 2243363

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Structure parameters

Chemical name	Tris[2-(4,4-dimethyl-2-oxazolin-2-yl)anilinido]ytterbium(III)
Formula	C33 H39 N6 O3 Yb
Calculated formula	C33 H39 N6 O3 Yb
SMILES	c12ccccc1C1=[N](C(CO1)(C)C)[Yb]13(N2)(Nc2ccccc2C2=[N]1C(CO2)(C)C)Nc1ccccc1C1=[N]3C(CO1)(C)C
Title of publication	Synthesis and crystal structures of tetrameric [2-(4,4-dimethyl-2-oxazolin-2-yl)anilido]sodium and tris[2-(4,4-dimethyl-2-oxazolin-2-yl)anilido]ytterbium(III)
Authors of publication	Gajecki, Leah; Twamley, Brendan; Berg, David J.
Journal of publication	Acta Crystallographica Section E
Year of publication	2020
Journal volume	76
Journal issue	5
Pages of publication	703 - 709
a	10.9428 ± 0.0005 Å
b	9.8253 ± 0.0005 Å
c	28.6089 ± 0.0014 Å
α	90°
β	94.722 ± 0.001°
γ	90°
Cell volume	3065.5 ± 0.3 Å³
Cell temperature	86 ± 2 K
Ambient diffraction temperature	86 ± 2 K
Number of distinct elements	5
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	0.0435
Residual factor for significantly intense reflections	0.032
Weighted residual factors for significantly intense reflections	0.0687
Weighted residual factors for all reflections included in the refinement	0.073
Goodness-of-fit parameter for all reflections included in the refinement	1.07
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
251009 (current)	2020-04-22	cif/ hkl/ Adding structures of 2243362, 2243363 via cif-deposit CGI script.	2243363.cif 2243363.hkl