Crystallography Open Database

Information card for entry 7059888

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Coordinates	7059888.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H19 F18 Nd O8 S
Calculated formula	C29 H19 F18 Nd O8 S
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	10.0548 ± 0.0008 Å
b	13.6467 ± 0.0012 Å
c	14.5545 ± 0.0013 Å
α	103.029 ± 0.004°
β	93.009 ± 0.004°
γ	101.76 ± 0.004°
Cell volume	1894.7 ± 0.3 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0265
Residual factor for significantly intense reflections	0.0226
Weighted residual factors for significantly intense reflections	0.0522
Weighted residual factors for all reflections included in the refinement	0.0567
Goodness-of-fit parameter for all reflections included in the refinement	1.17
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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