Crystallography Open Database

Information card for entry 7039139

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Coordinates	7039139.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C100 H178 B2 N20 S4 Yb2
Calculated formula	C100 H178 B2 N20 S4 Yb2
Title of publication	Stabilization of molecular lanthanide polysulfides by bulky scorpionate ligands.
Authors of publication	Kühling, Marcel; McDonald, Robert; Liebing, Phil; Hilfert, Liane; Ferguson, Michael J.; Takats, Josef; Edelmann, Frank T.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2016
Journal volume	45
Journal issue	25
Pages of publication	10118 - 10121
a	21.7535 ± 0.0005 Å
b	17.0849 ± 0.0005 Å
c	16.4796 ± 0.0004 Å
α	90°
β	112.597 ± 0.002°
γ	90°
Cell volume	5654.6 ± 0.3 Å³
Cell temperature	133 ± 2 K
Ambient diffraction temperature	133 ± 2 K
Number of distinct elements	6
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.0404
Residual factor for significantly intense reflections	0.0352
Weighted residual factors for significantly intense reflections	0.1153
Weighted residual factors for all reflections included in the refinement	0.1398
Goodness-of-fit parameter for all reflections included in the refinement	1.067
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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