Crystallography Open Database

Information card for entry 7715251

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Coordinates	7715251.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C181 H352 Al6 P6 Si27
Calculated formula	C151 H322 Al6 P6 Si27
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, Hans-Georg; Mitzel, Norbert W.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2024
Journal volume	53
Journal issue	18
Pages of publication	7751 - 7762
a	25.0396 ± 0.0004 Å
b	25.2861 ± 0.0005 Å
c	28.1063 ± 0.0005 Å
α	95.762 ± 0.001°
β	106.883 ± 0.002°
γ	118.836 ± 0.002°
Cell volume	14290.2 ± 0.6 Å³
Cell temperature	99.98 ± 0.1 K
Ambient diffraction temperature	99.98 ± 0.1 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1115
Residual factor for significantly intense reflections	0.0831
Weighted residual factors for significantly intense reflections	0.2255
Weighted residual factors for all reflections included in the refinement	0.2542
Goodness-of-fit parameter for all reflections included in the refinement	1.06
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
293106 (current)	2024-07-05	cif/ Updating files of 7715245, 7715246, 7715247, 7715248, 7715249, 7715250, 7715251 Original log message: Adding full bibliography for 7715245--7715251.cif.	7715251.cif
289970	2024-02-28	cif/ Adding structures of 7715245, 7715246, 7715247, 7715248, 7715249, 7715250, 7715251 via cif-deposit CGI script.	7715251.cif