Crystallography Open Database

Information card for entry 7064406

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Coordinates	7064406.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H24 N4
Calculated formula	C28.52 H20.52 N1.68
Title of publication	Self-Assembly of Tetraphenylethylene-Cored Metallacycles Linked by Stereo-isomerizable Ligands: Photo-induced E to Z isomerization within Supramolecular Structures
Authors of publication	Li, Bing-Yu; Tong, Jin; Wang, Ji; Yu, Shu-Yan
Journal of publication	New Journal of Chemistry
Year of publication	2026
a	39.366 ± 0.01 Å
b	18.683 ± 0.005 Å
c	9.677 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	7117 ± 3 Å³
Cell temperature	193 K
Ambient diffraction temperature	193 K
Number of distinct elements	3
Space group number	36
Hermann-Mauguin space group symbol	C m c 21
Hall space group symbol	C 2c -2
Residual factor for all reflections	0.1036
Residual factor for significantly intense reflections	0.0653
Weighted residual factors for significantly intense reflections	0.19
Weighted residual factors for all reflections included in the refinement	0.2174
Goodness-of-fit parameter for all reflections included in the refinement	1.064
Diffraction radiation wavelength	1.34139 Å
Diffraction radiation type	GaKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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