Crystallography Open Database

Information card for entry 7019143

7019142 << 7019143 >> 7019144

Preview

Coordinates	7019143.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C78 H90 Li6 O12
Calculated formula	C78 H90 Li6 O12
Title of publication	Lithium phenolates with a hexagonal-prismatic Li(6)O(6) core isolated via a cage-shaped tripodal ligands system: crystal structures and their behavior in solution.
Authors of publication	Nakajima, Hideto; Yasuda, Makoto; Baba, Akio
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2012
Journal volume	41
Journal issue	22
Pages of publication	6602 - 6606
a	19.2239 ± 0.0012 Å
b	19.2239 ± 0.0012 Å
c	19.2239 ± 0.0012 Å
α	90°
β	90°
γ	90°
Cell volume	7104.4 ± 0.8 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	4
Space group number	205
Hermann-Mauguin space group symbol	P a -3
Hall space group symbol	-P 2ac 2ab 3
Residual factor for all reflections	0.1398
Residual factor for significantly intense reflections	0.1069
Weighted residual factors for significantly intense reflections	0.2622
Weighted residual factors for all reflections included in the refinement	0.2869
Goodness-of-fit parameter for all reflections included in the refinement	1.048
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7019143.html