Crystallography Open Database

Information card for entry 7125892

Preview

Coordinates	7125892.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H30 Al2 F16
Calculated formula	C34 H30 Al2 F16
Title of publication	C-F bond activation by pentamethylcyclopentadienyl-aluminium(i): a combined experimental/computational exercise.
Authors of publication	Kysliak, Oleksandr; Görls, Helmar; Kretschmer, Robert
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2020
Journal volume	56
Journal issue	57
Pages of publication	7865 - 7868
a	8.4379 ± 0.0002 Å
b	9.9671 ± 0.0003 Å
c	11.3803 ± 0.0003 Å
α	115.809 ± 0.001°
β	98.981 ± 0.002°
γ	92.895 ± 0.001°
Cell volume	843.48 ± 0.04 Å³
Cell temperature	133 ± 2 K
Ambient diffraction temperature	133 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0465
Residual factor for significantly intense reflections	0.0393
Weighted residual factors for significantly intense reflections	0.0931
Weighted residual factors for all reflections included in the refinement	0.0978
Goodness-of-fit parameter for all reflections included in the refinement	1.037
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
254884 (current)	2020-08-06	cif/ Updating files of 7125888, 7125889, 7125890, 7125891, 7125892 Original log message: Adding full bibliography for 7125888--7125892.cif.	7125892.cif
247507	2020-02-04	cif/ Adding structures of 7125888, 7125889, 7125890, 7125891, 7125892 via cif-deposit CGI script.	7125892.cif