Crystallography Open Database

Information card for entry 7023671

Preview

Coordinates	7023671.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H11 Al F12
Calculated formula	C25 H11 Al F12
SMILES	[Al](c1c(c(cc(c1F)F)F)F)(c1c(c(cc(c1F)F)F)F)(c1c(c(cc(c1F)F)F)F)[CH]1=CC=C(C=C1)C
Title of publication	Activation of H2 using P/Al based frustrated Lewis pairs and reactions with olefins.
Authors of publication	Ménard, Gabriel; Tran, Lina; Stephan, Douglas W.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2013
Journal volume	42
Journal issue	37
Pages of publication	13685 - 13691
a	9.9703 ± 0.0005 Å
b	10.2507 ± 0.0005 Å
c	12.0527 ± 0.0006 Å
α	90.089 ± 0.003°
β	113.851 ± 0.002°
γ	96.326 ± 0.003°
Cell volume	1118.32 ± 0.1 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.0466
Residual factor for significantly intense reflections	0.0344
Weighted residual factors for significantly intense reflections	0.1128
Weighted residual factors for all reflections included in the refinement	0.1262
Goodness-of-fit parameter for all reflections included in the refinement	0.957
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
179941 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/36.	7023671.cif
90602	2013-11-18	cif/ Adding structures of 7023670, 7023671, 7023672 via cif-deposit CGI script.	7023671.cif