Crystallography Open Database

Information card for entry 4116231

Preview

Coordinates	4116231.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H72 K4 Li4 O8
Calculated formula	C32 H72 K4 Li4 O8
Title of publication	A Remarkable Isostructural Homologous Series of Mixed Lithium-Heavier Alkali Metaltert-Butoxides [(t-BuO)8Li4M4] (M = Na, K, Rb or Cs)
Authors of publication	David R. Armstrong; William Clegg; Allison M. Drummond; Stephen T. Liddle; Robert E. Mulvey
Journal of publication	Journal of the American Chemical Society
Year of publication	2000
Journal volume	122
Pages of publication	11117 - 11124
a	11.5194 ± 0.0006 Å
b	17.1506 ± 0.001 Å
c	13.0058 ± 0.0007 Å
α	90°
β	110.166 ± 0.002°
γ	90°
Cell volume	2412 ± 0.2 Å³
Cell temperature	160 ± 2 K
Ambient diffraction temperature	160 ± 2 K
Number of distinct elements	5
Space group number	11
Hermann-Mauguin space group symbol	P 1 21/m 1
Hall space group symbol	-P 2yb
Residual factor for all reflections	0.0441
Residual factor for significantly intense reflections	0.0324
Weighted residual factors for significantly intense reflections	0.0853
Weighted residual factors for all reflections included in the refinement	0.088
Goodness-of-fit parameter for all reflections included in the refinement	1.035
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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