Crystallography Open Database

Information card for entry 7019145

7019144 << 7019145 >> 7019146

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Coordinates	7019145.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C93 H117 Li6 O12
Calculated formula	C93 H117 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	12.3152 ± 0.0005 Å
b	15.6985 ± 0.0007 Å
c	22.3318 ± 0.0008 Å
α	90°
β	94.31 ± 0.001°
γ	90°
Cell volume	4305.2 ± 0.3 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0922
Residual factor for significantly intense reflections	0.0737
Weighted residual factors for significantly intense reflections	0.2098
Weighted residual factors for all reflections included in the refinement	0.2325
Goodness-of-fit parameter for all reflections included in the refinement	1.079
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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