Crystallography Open Database

Information card for entry 7125888

Preview

Coordinates	7125888.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H30 Al2 F10 N2
Calculated formula	C30 H30 Al2 F10 N2
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	8.4228 ± 0.0002 Å
b	9.8609 ± 0.0003 Å
c	10.1038 ± 0.0004 Å
α	65.09 ± 0.001°
β	72.958 ± 0.002°
γ	85.464 ± 0.002°
Cell volume	726.74 ± 0.04 Å³
Cell temperature	133 ± 2 K
Ambient diffraction temperature	133 ± 2 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	0.039
Residual factor for significantly intense reflections	0.0355
Weighted residual factors for significantly intense reflections	0.0858
Weighted residual factors for all reflections included in the refinement	0.0888
Goodness-of-fit parameter for all reflections included in the refinement	1.064
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
254884 (current)	2020-08-06	cif/ Updating files of 7125888, 7125889, 7125890, 7125891, 7125892 Original log message: Adding full bibliography for 7125888--7125892.cif.	7125888.cif
247507	2020-02-04	cif/ Adding structures of 7125888, 7125889, 7125890, 7125891, 7125892 via cif-deposit CGI script.	7125888.cif