Crystallography Open Database

Information card for entry 4312294

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Structure parameters

Formula	C28 H12 B Cu F16 N4
Calculated formula	C28 H12 B Cu F16 N4
SMILES	[Cu]12([n]3c(ccc4ccc5ccc([n]1c5c34)C(F)(F)F)C(F)(F)F)[n]1c(ccc3ccc4ccc([n]2c4c13)C(F)(F)F)C(F)(F)F.[B](F)(F)(F)[F-]
Title of publication	Cu(I)(2,9-Bis(trifluoromethyl)-1,10-phenanthroline)2+ Complexes: Correlation between Solid-State Structure and Photoluminescent Properties
Authors of publication	Andrey Yu. Kovalevsky; Milan Gembicky; Philip Coppens
Journal of publication	Inorganic Chemistry
Year of publication	2004
Journal volume	43
Pages of publication	8282 - 8289
a	12.0887 ± 0.0002 Å
b	13.0935 ± 0.0002 Å
c	17.6673 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	2796.44 ± 0.08 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.042
Residual factor for significantly intense reflections	0.0345
Weighted residual factors for significantly intense reflections	0.087
Weighted residual factors for all reflections included in the refinement	0.0927
Goodness-of-fit parameter for all reflections included in the refinement	1.08
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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