Crystallography Open Database

Information card for entry 1576788

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Coordinates	1576788.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C43 H57 I2 Nd S
Calculated formula	C43 H57 I2 Nd S
Title of publication	Unexpected dispersion-stabilized tris(terphenylthiolate) complexes, Ln(SAr <sup><i>i</i>Pr6</sup>)<sub>3</sub>, arising from two-electron reduction by Ln(SAr <sup><i>i</i>Pr6</sup>)<sub>2</sub> [Ar <sup><i>i</i>Pr6</sup> = C<sub>6</sub>H<sub>3</sub>-2,6-(C<sub>6</sub>H<sub>2</sub>-2,6,4- <sup><i>i</i></sup> Pr<sub>3</sub>)<sub>2</sub>].
Authors of publication	Luevano, Makayla R.; Stennett, Cary R.; Ma, Eric; Ziller, Joseph W.; Furche, Filipp; Evans, William J.
Journal of publication	Chemical science
Year of publication	2026
Journal volume	17
Journal issue	16
Pages of publication	8160 - 8167
a	14.301 ± 0.003 Å
b	16.545 ± 0.003 Å
c	19.403 ± 0.004 Å
α	75.445 ± 0.003°
β	79.623 ± 0.003°
γ	74.563 ± 0.003°
Cell volume	4251.6 ± 1.5 Å³
Cell temperature	93.14 K
Ambient diffraction temperature	93.14 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	0.0411
Residual factor for significantly intense reflections	0.0284
Weighted residual factors for significantly intense reflections	0.0543
Weighted residual factors for all reflections included in the refinement	0.0582
Goodness-of-fit parameter for all reflections included in the refinement	1.041
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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