Crystallography Open Database

Information card for entry 7720829

7720828 << 7720829 >> 7720830

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Coordinates	7720829.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C95.5 H95.5 F18 N5 O6 Y
Calculated formula	C82 H64 F18 N5 O6 Y
Title of publication	Tailoring Exciplex Formation in Metal-Induced Supramolecular Organization
Authors of publication	Le-Hoang, Giau; Guénée, Laure; Piguet, Claude
Journal of publication	Dalton Transactions
Year of publication	2026
a	20.11679 ± 0.00014 Å
b	14.05917 ± 0.00008 Å
c	30.12016 ± 0.00014 Å
α	90°
β	90°
γ	90°
Cell volume	8518.75 ± 0.09 Å³
Cell temperature	119.99 ± 0.1 K
Ambient diffraction temperature	119.99 ± 0.1 K
Number of distinct elements	6
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.0668
Residual factor for significantly intense reflections	0.0602
Weighted residual factors for significantly intense reflections	0.1795
Weighted residual factors for all reflections included in the refinement	0.185
Goodness-of-fit parameter for all reflections included in the refinement	1.084
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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