Crystallography Open Database

Information card for entry 4070724

Preview

Coordinates	4070724.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H27 B F Fe N Sn
Calculated formula	C24 H27 B F Fe N Sn
SMILES	[B](F)([n]1ccccc1)([c]12[cH]3[Fe]4567892([c]1([Sn](C)(C)c1ccccc1)[cH]5[cH]34)[cH]1[cH]6[cH]7[cH]8[cH]91)C
Title of publication	Fluoride-Promoted Aryl and Allyl Migration from Boron to Tin in 1-Stannyl-2-borylferrocenes
Authors of publication	Boshra, Ramez; Doshi, Ami; Jäkle, Frieder
Journal of publication	Organometallics
Year of publication	2008
Journal volume	27
Journal issue	7
Pages of publication	1534
a	12.0378 ± 0.0003 Å
b	15.882 ± 0.0003 Å
c	23.9342 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	4575.84 ± 0.17 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0506
Residual factor for significantly intense reflections	0.0435
Weighted residual factors for significantly intense reflections	0.1076
Weighted residual factors for all reflections included in the refinement	0.1117
Goodness-of-fit parameter for all reflections included in the refinement	1.091
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178596 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/07.	4070724.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4070724.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4070724.cif
42659	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4070724 via cif-deposit CGI script.	4070724.cif