Crystallography Open Database

Information card for entry 7715246

Preview

Coordinates	7715246.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C72.5 H68 Br12
Calculated formula	C72.5 H68 Br12
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	19.0157 ± 0.0003 Å
b	20.0868 ± 0.0004 Å
c	19.9871 ± 0.0003 Å
α	90°
β	113.226 ± 0.002°
γ	90°
Cell volume	7015.6 ± 0.2 Å³
Cell temperature	100.02 ± 0.1 K
Ambient diffraction temperature	100.02 ± 0.1 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0661
Residual factor for significantly intense reflections	0.0388
Weighted residual factors for significantly intense reflections	0.0733
Weighted residual factors for all reflections included in the refinement	0.0818
Goodness-of-fit parameter for all reflections included in the refinement	1.015
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.	7715246.cif
289970	2024-02-28	cif/ Adding structures of 7715245, 7715246, 7715247, 7715248, 7715249, 7715250, 7715251 via cif-deposit CGI script.	7715246.cif