Crystallography Open Database

Information card for entry 7121112

Preview

Coordinates	7121112.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H35 Al2 Br2 N
Calculated formula	C26 H35 Al2 Br2 N
SMILES	[Br]1[Al]23456(N([Al]789%1012(Br)[c]1([c]7([c]8([c]9([c]%101C)C)C)C)C)c1ccccc1)[c]1([c]3([c]4([c]5([c]61C)C)C)C)C
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	8.88 ± 0.006 Å
b	14.563 ± 0.009 Å
c	10.658 ± 0.01 Å
α	90°
β	110.01 ± 0.04°
γ	90°
Cell volume	1295.1 ± 1.7 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0861
Residual factor for significantly intense reflections	0.0564
Weighted residual factors for significantly intense reflections	0.1061
Weighted residual factors for all reflections included in the refinement	0.1164
Goodness-of-fit parameter for all reflections included in the refinement	1.008
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
228386 (current)	2019-11-17	cif/ Updating files of 7121109, 7121110, 7121111, 7121112 Original log message: Adding full bibliography for 7121109--7121112.cif.	7121112.cif
204951	2018-01-09	cif/ Adding structures of 7121109, 7121110, 7121111, 7121112 via cif-deposit CGI script.	7121112.cif