Crystallography Open Database

Information card for entry 7720824

7720823 << 7720824 >> 7720825

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Coordinates	7720824.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C67 H61 N5
Calculated formula	C67 H61 N5
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	26.0953 ± 0.0002 Å
b	12.63448 ± 0.00011 Å
c	16.11327 ± 0.00012 Å
α	90°
β	103.857 ± 0.0009°
γ	90°
Cell volume	5157.94 ± 0.07 Å³
Cell temperature	120 ± 0.1 K
Ambient diffraction temperature	120 ± 0.1 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0544
Residual factor for significantly intense reflections	0.0484
Weighted residual factors for significantly intense reflections	0.1275
Weighted residual factors for all reflections included in the refinement	0.1312
Goodness-of-fit parameter for all reflections included in the refinement	1.057
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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