Crystallography Open Database

Information card for entry 7023672

Preview

Coordinates	7023672.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C99 H35 Al2 F54 P
Calculated formula	C99 H35 Al2 F54 P
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	12.4265 ± 0.0018 Å
b	16.935 ± 0.003 Å
c	21.347 ± 0.003 Å
α	88.445 ± 0.006°
β	86.663 ± 0.006°
γ	83.482 ± 0.006°
Cell volume	4454.8 ± 1.2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.1682
Residual factor for significantly intense reflections	0.0817
Weighted residual factors for significantly intense reflections	0.2275
Weighted residual factors for all reflections included in the refinement	0.2773
Goodness-of-fit parameter for all reflections included in the refinement	1.045
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.	7023672.cif
90602	2013-11-18	cif/ Adding structures of 7023670, 7023671, 7023672 via cif-deposit CGI script.	7023672.cif