Crystallography Open Database

Information card for entry 7715247

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Coordinates	7715247.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C82 H102 Si6
Calculated formula	C61 H81 Si6
Title of publication	Hexadentate poly-Lewis acids based on the bowl-shaped tribenzotriquinacene
Authors of publication	Franke, Maurice; Klingsiek, Maximilian J.; Buth, Julian; Lamm, Jan-Hendrik; Neumann, Beate; Stammler, Georg; Mitzel, Norbert Werner
Journal of publication	Dalton Transactions
Year of publication	2024
a	27.3971 ± 0.0004 Å
b	25.3293 ± 0.0003 Å
c	24.4731 ± 0.0003 Å
α	90°
β	99.932 ± 0.001°
γ	90°
Cell volume	16728.6 ± 0.4 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	3
Space group number	15
Hermann-Mauguin space group symbol	I 1 2/a 1
Hall space group symbol	-I 2ya
Residual factor for all reflections	0.1033
Residual factor for significantly intense reflections	0.0979
Weighted residual factors for significantly intense reflections	0.288
Weighted residual factors for all reflections included in the refinement	0.2938
Goodness-of-fit parameter for all reflections included in the refinement	1.046
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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