Crystallography Open Database

Information card for entry 4067118

Preview

Coordinates	4067118.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C79 H50 B2 Cl6 F30 Fe2 N2
Calculated formula	C79 H50 B2 Cl6 F30 Fe2 N2
Title of publication	Addition of Enamines or Pyrroles and B(C6F5)3“Frustrated Lewis Pairs” to 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	6422
a	25.6744 ± 0.001 Å
b	15.7733 ± 0.0006 Å
c	19.4148 ± 0.0008 Å
α	90°
β	103.157 ± 0.002°
γ	90°
Cell volume	7656 ± 0.5 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0847
Residual factor for significantly intense reflections	0.0587
Weighted residual factors for significantly intense reflections	0.1591
Weighted residual factors for all reflections included in the refinement	0.1804
Goodness-of-fit parameter for all reflections included in the refinement	1.031
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
178562 (current)	2016-03-21	cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/71.	4067118.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4067118.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4067118.cif
34086	2012-02-13	../uploads/cif-deposit/cod/cif Adding structures of 4067113, 4067114, 4067115, 4067116, 4067117, 4067118, 4067119, 4067120, 4067121 via cif-deposit CGI script.	4067118.cif