Crystallography Open Database

Information card for entry 4104587

Preview

Coordinates	4104587.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[tBu3PH][PhCCAl(C6F5)3]
Formula	C41 H34.25 Al Cl0.5 F15 P
Calculated formula	C41 H33 Al Cl0.5 F15 P
Title of publication	Terminal Alkyne Activation by Frustrated and Classical Lewis Acid/Phosphine Pairs
Authors of publication	Meghan A. Dureen; Douglas W. Stephan
Journal of publication	Journal of the American Chemical Society
Year of publication	2009
Journal volume	131
Pages of publication	8396 - 8397
a	12.5867 ± 0.0004 Å
b	16.6533 ± 0.0005 Å
c	19.4595 ± 0.0006 Å
α	90°
β	100.549 ± 0.001°
γ	90°
Cell volume	4010 ± 0.2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0645
Residual factor for significantly intense reflections	0.0406
Weighted residual factors for significantly intense reflections	0.097
Weighted residual factors for all reflections included in the refinement	0.1079
Goodness-of-fit parameter for all reflections included in the refinement	1.034
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4104587.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4104587.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4104587.cif
29613	2011-11-04	../uploads/cif-deposit/cod/cif Adding structures of 4104587 via cif-deposit CGI script.	4104587.cif