Crystallography Open Database

Information card for entry 4075568

Preview

Coordinates	4075568.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Pentamethylcyclopentadienyldicarbonyldichloroboryliron 4-methylpyridine adduct
Formula	C24 H28 B Cl2 Fe N O2
Calculated formula	C24 H27 B Cl2 Fe N O2
Title of publication	Synthesis and Reactivity of Dihaloboryl Complexes
Authors of publication	Braunschweig, Holger; Radacki, Krzysztof; Seeler, Fabian; Whittell, George R.
Journal of publication	Organometallics
Year of publication	2006
Journal volume	25
Journal issue	19
Pages of publication	4605
a	8.1062 ± 0.0012 Å
b	12.5379 ± 0.0018 Å
c	23.605 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	2399.1 ± 0.6 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	7
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0426
Residual factor for significantly intense reflections	0.0381
Weighted residual factors for significantly intense reflections	0.0954
Weighted residual factors for all reflections included in the refinement	0.0991
Goodness-of-fit parameter for all reflections included in the refinement	1.057
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178644 (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 4/07/55.	4075568.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4075568.cif
49316	2012-03-27	../uploads/cif-deposit/cod/cif Adding structures of 4075568 via cif-deposit CGI script.	4075568.cif