Crystallography Open Database

Information card for entry 7063518

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Coordinates	7063518.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C66 H42 F21 Nd O8 P2 S3
Calculated formula	C66 H42 F21 Nd O8 P2 S3
Title of publication	Photophysical and optoelectronic studies of 1.06 and 13.3 μm emissive neodymium complexes
Authors of publication	Ahmed, Zubair; Ali, Asgar; Imam, Faisal; Carvalho, Rafael S.; Cremona, Marco
Journal of publication	New Journal of Chemistry
Year of publication	2024
a	25.472 ± 0.0009 Å
b	14.6171 ± 0.0003 Å
c	21.3754 ± 0.0007 Å
α	90°
β	116.727 ± 0.004°
γ	90°
Cell volume	7108.3 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.066
Residual factor for significantly intense reflections	0.0527
Weighted residual factors for significantly intense reflections	0.128
Weighted residual factors for all reflections included in the refinement	0.1344
Goodness-of-fit parameter for all reflections included in the refinement	1.21
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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