Crystallography Open Database

Information card for entry 7059889

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Coordinates	7059889.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C51 H33 F18 Nd O8 P2
Calculated formula	C51 H33 F18 Nd O8 P2
Title of publication	Bright neodymium complexes for efficient near infra-red organic light emitting diodes
Authors of publication	Ahmed, Zubair; Avila, Harold C.; Carvalho, Rafael S.; Kai, Jiang; Resende, J. A. L. C.; Bandini, Elisa; Barbieri, Andrea; Cremona, Marco
Journal of publication	New Journal of Chemistry
Year of publication	2020
Journal volume	44
Journal issue	33
Pages of publication	14161 - 14170
a	13.1817 ± 0.0007 Å
b	13.6362 ± 0.0006 Å
c	30.7235 ± 0.0016 Å
α	90°
β	90.633 ± 0.0018°
γ	90°
Cell volume	5522.2 ± 0.5 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
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	0.0434
Residual factor for significantly intense reflections	0.0325
Weighted residual factors for significantly intense reflections	0.0592
Weighted residual factors for all reflections included in the refinement	0.0631
Goodness-of-fit parameter for all reflections included in the refinement	1.189
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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