Crystallography Open Database

Information card for entry 4335501

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Structure parameters

Formula	C45 H12 Ce F30 N3
Calculated formula	C45 H12 Ce F30 N3
SMILES	[Ce]123([F]c4c(N1c1c(F)c(F)c(F)c(F)c1F)c(F)c(F)c(F)c4F)([F]c1c(N2c2c(F)c(F)c(F)c(F)c2F)c(F)c(F)c(F)c1F)[F]c1c(N3c2c(F)c(F)c(F)c(F)c2F)c(F)c(F)c(F)c1F.c1(cc(cc(c1)C)C)C
Title of publication	Electrophilic Ln(III) Cations Protected by C-F → Ln Interactions and Their Coordination Chemistry with Weak σ- and π-Donors
Authors of publication	Haolin Yin; Andrew J. Lewis; Patrick Carroll; Eric J. Schelter
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	8234 - 8243
a	10.5284 ± 0.0014 Å
b	21.974 ± 0.003 Å
c	22.152 ± 0.003 Å
α	73.699 ± 0.006°
β	84.583 ± 0.006°
γ	88.439 ± 0.007°
Cell volume	4896.9 ± 1.2 Å³
Cell temperature	143 ± 1 K
Ambient diffraction temperature	143 ± 1 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0683
Residual factor for significantly intense reflections	0.054
Weighted residual factors for significantly intense reflections	0.1333
Weighted residual factors for all reflections included in the refinement	0.138
Goodness-of-fit parameter for all reflections included in the refinement	1.089
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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