Crystallography Open Database

Information card for entry 7121111

Preview

Coordinates	7121111.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H36 Al2 Br2
Calculated formula	C24 H36 Al2 Br2
Title of publication	Dialumination of unsaturated species with a reactive bis(cyclopentadienyl) dialane.
Authors of publication	Hofmann, Alexander; Lamprecht, Anna; González-Belman, Oscar F; Dewhurst, Rian D.; Jiménez-Halla, J Oscar C; Kachel, Stephanie; Braunschweig, Holger
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2018
Journal volume	54
Journal issue	13
Pages of publication	1639 - 1642
a	9.136 ± 0.004 Å
b	8.291 ± 0.003 Å
c	16.801 ± 0.008 Å
α	90°
β	101.961 ± 0.015°
γ	90°
Cell volume	1245 ± 0.9 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
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	0.044
Residual factor for significantly intense reflections	0.0388
Weighted residual factors for significantly intense reflections	0.0881
Weighted residual factors for all reflections included in the refinement	0.0896
Goodness-of-fit parameter for all reflections included in the refinement	1.257
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
228386 (current)	2019-11-17	cif/ Updating files of 7121109, 7121110, 7121111, 7121112 Original log message: Adding full bibliography for 7121109--7121112.cif.	7121111.cif
204951	2018-01-09	cif/ Adding structures of 7121109, 7121110, 7121111, 7121112 via cif-deposit CGI script.	7121111.cif