Crystallography Open Database

Information card for entry 7715248

Preview

Coordinates	7715248.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C89 H114 Sn6
Calculated formula	C89 H114 Sn6
SMILES	[Sn](C#Cc1cc2C3(C4C(c2cc1C#C[Sn](C)(C)C)(c1cc(c(cc1C4(c1cc(c(cc31)C#C[Sn](C)(C)C)C#C[Sn](C)(C)C)CCC)C#C[Sn](C)(C)C)C#C[Sn](C)(C)C)CCC)CCC)(C)(C)C.c1ccccc1C.c1ccccc1C.c1ccccc1C.c1ccccc1C
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	28.3182 ± 0.0009 Å
b	25.1639 ± 0.0005 Å
c	25.1299 ± 0.0007 Å
α	90°
β	97.566 ± 0.003°
γ	90°
Cell volume	17751.6 ± 0.8 Å³
Cell temperature	99.99 ± 0.14 K
Ambient diffraction temperature	99.99 ± 0.14 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	0.1006
Residual factor for significantly intense reflections	0.0593
Weighted residual factors for significantly intense reflections	0.1405
Weighted residual factors for all reflections included in the refinement	0.1621
Goodness-of-fit parameter for all reflections included in the refinement	1.099
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
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.	7715248.cif
289970	2024-02-28	cif/ Adding structures of 7715245, 7715246, 7715247, 7715248, 7715249, 7715250, 7715251 via cif-deposit CGI script.	7715248.cif