Crystallography Open Database

Information card for entry 4103948

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Coordinates	4103948.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H45 La S2
Calculated formula	C31 H45 La S2
Title of publication	Reactivity of (C5Me5)3LaLx Complexes: Synthesis of a Tris(pentamethylcyclopentadienyl) Complex with Two Additional Ligands, (C5Me5)3La(NCCMe3)2
Authors of publication	William J. Evans; Thomas J. Mueller; Joseph W. Ziller
Journal of publication	Journal of the American Chemical Society
Year of publication	2009
Journal volume	131
Pages of publication	2678 - 2686
a	9.9376 ± 0.0006 Å
b	11.339 ± 0.0007 Å
c	14.4297 ± 0.0009 Å
α	74.182 ± 0.001°
β	83.38 ± 0.001°
γ	70.704 ± 0.001°
Cell volume	1475.95 ± 0.16 Å³
Cell temperature	163 ± 2 K
Ambient diffraction temperature	163 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0328
Residual factor for significantly intense reflections	0.0298
Weighted residual factors for significantly intense reflections	0.0739
Weighted residual factors for all reflections included in the refinement	0.0756
Goodness-of-fit parameter for all reflections included in the refinement	1.045
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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