Crystallography Open Database

Information card for entry 4114288

Preview

Coordinates	4114288.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C124 H193 Cl8 Cu24 Li6 N18 O8.5 S24 W8
Calculated formula	C94 H120 Cl8 Cu24 Li6 N14 S24 W8
Title of publication	Assembly of a Supramolecular Cube, [(CpWS3Cu3)8Cl8(CN)12Li4] from a Preformed Incomplete Cubane-like Compound [PPh4][CpWS3(CuCN)3]
Authors of publication	Jian-Ping Lang; Qing-Feng Xu; Zhong-Ning Chen; Brendan F. Abrahams
Journal of publication	Journal of the American Chemical Society
Year of publication	2003
Journal volume	125
Pages of publication	12682 - 12683
a	17.131 ± 0.003 Å
b	17.131 ± 0.003 Å
c	33.136 ± 0.009 Å
α	90°
β	90°
γ	90°
Cell volume	9724 ± 4 Å³
Cell temperature	193.1 K
Number of distinct elements	9
Space group number	87
Hermann-Mauguin space group symbol	I 4/m
Hall space group symbol	-I 4
Residual factor for significantly intense reflections	0.063
Weighted residual factors for all reflections included in the refinement	0.072
Goodness-of-fit parameter for all reflections included in the refinement	1.197
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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