Crystallography Open Database

Information card for entry 2200579

2200578 << 2200579 >> 2200580

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Structure parameters

Chemical name	trans-bis(2,4,6,2'',4'',6''-hexaisopropyl-1,1':3',1''-terphenyl-2'-thiolato-S)- tetrakis(tetrahydrofuran-O)ytterbium(II)
Formula	C88 H130 O4 S2 Yb
Calculated formula	C88 H130 O4 S2 Yb
SMILES	c1c(C(C)C)cc(c(c2c(S[Yb]([O]3CCCC3)([O]3CCCC3)(Sc3c(cccc3c3c(cc(cc3C(C)C)C(C)C)C(C)C)c3c(cc(cc3C(C)C)C(C)C)C(C)C)([O]3CCCC3)[O]3CCCC3)c(ccc2)c2c(cc(cc2C(C)C)C(C)C)C(C)C)c1C(C)C)C(C)C
Title of publication	A sterically crowded ytterbium(II) thiolate: <i>trans</i>-bis(2,4,6,2'',4'',6''-hexaisopropyl-1,1':3',1''-terphenyl-2'-thiolato-<i>S</i>)tetrakis(tetrahydrofuran-<i>O</i>)ytterbium(II)
Authors of publication	Niemeyer, Mark
Journal of publication	Acta Crystallographica Section E
Year of publication	2001
Journal volume	57
Journal issue	9
Pages of publication	m396 - m398
a	13.666 ± 0.003 Å
b	16.277 ± 0.003 Å
c	18.575 ± 0.004 Å
α	90°
β	98.99 ± 0.03°
γ	90°
Cell volume	4081.1 ± 1.5 Å³
Cell temperature	188 ± 2 K
Ambient diffraction temperature	188 ± 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	0.094
Residual factor for significantly intense reflections	0.052
Weighted residual factors for all reflections included in the refinement	0.128
Goodness-of-fit parameter for all reflections included in the refinement	1.08
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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