Crystallography Open Database

Information card for entry 7056472

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Structure parameters

Formula	C26 H15 F3 N4
Calculated formula	C26 H15 F3 N4
SMILES	n1c2c(n(c3ccc(cc3)C(F)(F)F)c1c1ccccc1)c1c(nccc1)c1ncccc21
Title of publication	Effects of electron withdrawing groups in imidazole-phenanthroline ligands and their influence on photophysical properties of EuIII complexes for white light emitting diodes
Authors of publication	Boddula, Rajamouli; Devi, Rachna; Mohanty, Abhijeet; Krishnan, Venkata; Vaidyanathan, Sivakumar
Journal of publication	New J. Chem.
Year of publication	2017
Journal volume	41
Journal issue	18
Pages of publication	9826 - 9839
a	8.3313 ± 0.0009 Å
b	12.5035 ± 0.0013 Å
c	19.8612 ± 0.0018 Å
α	90°
β	93.365 ± 0.009°
γ	90°
Cell volume	2065.4 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0937
Residual factor for significantly intense reflections	0.0738
Weighted residual factors for significantly intense reflections	0.2022
Weighted residual factors for all reflections included in the refinement	0.2224
Goodness-of-fit parameter for all reflections included in the refinement	1.063
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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