Crystallography Open Database

Information card for entry 4101623

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Coordinates	4101623.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C87 H158 B3 Lu3 N18
Calculated formula	C81 H144 B3 Lu3 N18
Title of publication	Synthesis and reaction of [(Tp(iPr2))LnH2]3 (Ln = Y, Lu) with CO: trinuclear cluster-bound propenolate en route to selective formation of propene.
Authors of publication	Cheng, Jianhua; Ferguson, Michael J.; Takats, Josef
Journal of publication	Journal of the American Chemical Society
Year of publication	2010
Journal volume	132
Journal issue	1
Pages of publication	2 - 3
a	17.8179 ± 0.0009 Å
b	17.9008 ± 0.0009 Å
c	31.1982 ± 0.0015 Å
α	90°
β	90°
γ	90°
Cell volume	9950.8 ± 0.9 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0204
Residual factor for significantly intense reflections	0.0186
Weighted residual factors for significantly intense reflections	0.0432
Weighted residual factors for all reflections included in the refinement	0.0438
Goodness-of-fit parameter for all reflections included in the refinement	1.037
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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