Crystallography Open Database

Information card for entry 4067207

Preview

Coordinates	4067207.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44.5 H27 B Cl F10 P
Calculated formula	C44.5 H27 B Cl F10 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	10.6158 ± 0.0005 Å
b	10.9157 ± 0.0005 Å
c	18.9691 ± 0.001 Å
α	87.183 ± 0.003°
β	74.873 ± 0.002°
γ	65.677 ± 0.002°
Cell volume	1929.35 ± 0.17 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0668
Residual factor for significantly intense reflections	0.0461
Weighted residual factors for significantly intense reflections	0.1242
Weighted residual factors for all reflections included in the refinement	0.1375
Goodness-of-fit parameter for all reflections included in the refinement	1.017
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.	4067207.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4067207.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4067207.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.	4067207.cif