Crystallography Open Database

Information card for entry 4067203

Preview

Coordinates	4067203.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48.5 H26 B Cl F15 Fe P
Calculated formula	C48.75 H26 B Cl1.5 F15 Fe 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	10.9787 ± 0.0004 Å
b	21.7431 ± 0.0007 Å
c	17.9889 ± 0.0006 Å
α	90°
β	91.597 ± 0.002°
γ	90°
Cell volume	4292.5 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0903
Residual factor for significantly intense reflections	0.062
Weighted residual factors for significantly intense reflections	0.1857
Weighted residual factors for all reflections included in the refinement	0.2109
Goodness-of-fit parameter for all reflections included in the refinement	1.047
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.	4067203.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4067203.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4067203.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.	4067203.cif