Crystallography Open Database

Information card for entry 4107863

Preview

Coordinates	4107863.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C72 H72 Li3 Lu N6 O6
Calculated formula	C72 H72 Li3 Lu N6 O6
Title of publication	Insight into Substrate Binding in Shibasaki's Li3(THF)n(BINOLate)3Ln Complexes and Implications in Catalysis
Authors of publication	Alfred J. Wooten; Patrick J. Carroll; Patrick J. Walsh
Journal of publication	Journal of the American Chemical Society
Year of publication	2008
Journal volume	130
Pages of publication	7407 - 7419
a	21.4512 ± 0.0011 Å
b	15.2859 ± 0.0007 Å
c	22.0196 ± 0.0011 Å
α	90°
β	117.987 ± 0.001°
γ	90°
Cell volume	6375.9 ± 0.5 Å³
Cell temperature	143 ± 1 K
Ambient diffraction temperature	143 ± 1 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	0.0457
Residual factor for significantly intense reflections	0.037
Weighted residual factors for significantly intense reflections	0.0676
Weighted residual factors for all reflections included in the refinement	0.0729
Goodness-of-fit parameter for all reflections included in the refinement	1.121
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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