Crystallography Open Database

Information card for entry 4116834

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Coordinates	4116834.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H56 Cu Li2 N2 O4
Calculated formula	C35 H56 Cu Li2 N3 O4
Title of publication	A Model Structure for the Resting State of Cyanocuprate Reagents R2Cu(CN)Li2. The X-ray Crystal Structure of [Ar2Cu(CN)Li2(THF)4]\ιnfty1
Authors of publication	Claudia M. P. Kronenburg; Johann T. B. H. Jastrzebski; Anthony L. Spek; Gerard van Koten
Journal of publication	Journal of the American Chemical Society
Year of publication	1998
Journal volume	120
Pages of publication	9688 - 9689
a	8.6001 ± 0.0006 Å
b	10.1069 ± 0.0009 Å
c	11.0863 ± 0.0011 Å
α	104.848 ± 0.008°
β	93.694 ± 0.007°
γ	94.497 ± 0.006°
Cell volume	925 ± 0.14 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0568
Residual factor for significantly intense reflections	0.0407
Weighted residual factors for significantly intense reflections	0.0895
Weighted residual factors for all reflections included in the refinement	0.0955
Goodness-of-fit parameter for all reflections included in the refinement	1.071
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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