Crystallography Open Database

Information card for entry 4067201

Preview

Coordinates	4067201.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C41 H34.25 Al Cl0.5 F15 P
Calculated formula	C41 H33 Al Cl0.5 F15 P
Title of publication	Deprotonation and Addition Reactions of Frustrated Lewis Pairs with Alkynes
Authors of publication	Dureen, Meghan A.; Brown, Christopher C.; Stephan, Douglas W.
Journal of publication	Organometallics
Year of publication	2010
Journal volume	29
Journal issue	23
Pages of publication	6594
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	296 ± 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.	4067201.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4067201.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4067201.cif
34120	2012-02-13	../uploads/cif-deposit/cod/cif Adding structures of 4067199, 4067200, 4067201, 4067202, 4067203, 4067204, 4067205, 4067206, 4067207, 4067208, 4067209, 4067210, 4067211, 4067212, 4067213, 4067214, 4067215, 4067216, 4067217, 4067218 via cif-deposit CGI script.	4067201.cif