Crystallography Open Database

Information card for entry 4077623

Preview

Coordinates	4077623.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C88 H94 Li3 O13 Yb
Calculated formula	C88 H94 Li3 O13 Yb
Title of publication	Pinwheel-Shaped Heterobimetallic Lanthanide Alkali Metal Binaphtholates: Ionic Size Matters!
Authors of publication	Aspinall, Helen C.; Bickley, Jamie F.; Dwyer, Jennifer L. M.; Greeves, Nicholas; Kelly, Richard V.; Steiner, Alexander
Journal of publication	Organometallics
Year of publication	2000
Journal volume	19
Journal issue	25
Pages of publication	5416
a	15.1157 ± 0.001 Å
b	15.1157 ± 0.001 Å
c	59.098 ± 0.007 Å
α	90°
β	90°
γ	120°
Cell volume	11693.9 ± 1.8 Å³
Cell temperature	213 ± 2 K
Ambient diffraction temperature	213 ± 2 K
Number of distinct elements	5
Space group number	179
Hermann-Mauguin space group symbol	P 65 2 2
Hall space group symbol	P 65 2 (0 0 1)
Residual factor for all reflections	0.1156
Residual factor for significantly intense reflections	0.0987
Weighted residual factors for significantly intense reflections	0.1993
Weighted residual factors for all reflections included in the refinement	0.2214
Goodness-of-fit parameter for all reflections included in the refinement	1.097
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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