Crystallography Open Database

Information card for entry 7063863

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Coordinates	7063863.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H27 Cu2 F6 N5 O12 S2
Calculated formula	C29 H27 Cu2 F6 N4.5 O12 S2
Title of publication	(S)-BINOL-derived chiral picolinate ligand as a platform for new polymer frameworks: a pilot study on the effect of the binaphthyl scaffold vs. picolinate
Authors of publication	Rodríguez, Humberto A.; Cruz, Daniel A.; Padrón, Juan I.; Lorenzo-Luis, Pablo
Journal of publication	New Journal of Chemistry
Year of publication	2025
Journal volume	49
Journal issue	30
Pages of publication	12940 - 12947
a	14.5386 ± 0.0004 Å
b	14.5386 ± 0.0004 Å
c	38.0549 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	8043.7 ± 0.4 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	7
Space group number	88
Hermann-Mauguin space group symbol	I 41/a :2
Hall space group symbol	-I 4ad
Residual factor for all reflections	0.1061
Residual factor for significantly intense reflections	0.0887
Weighted residual factors for significantly intense reflections	0.2628
Weighted residual factors for all reflections included in the refinement	0.28
Goodness-of-fit parameter for all reflections included in the refinement	1.0827
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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