Crystallography Open Database

Information card for entry 4083424

Preview

Coordinates	4083424.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	(bromodimethylstibine)dicarbonyl(cyclopentadienyl)iron(II) trifluoromethanesulfonate
Formula	C10 H11 Br F3 Fe O5 S Sb
Calculated formula	C10 H11 Br F3 Fe O5 S Sb
Title of publication	Bromostibine Complexes of Iron(II): Hypervalency and Reactivity
Authors of publication	Benjamin, Sophie L.; Levason, William; Light, Mark E.; Reid, Gillian; Rogers, Scott M.
Journal of publication	Organometallics
Year of publication	2014
Journal volume	33
Journal issue	11
Pages of publication	2693
a	10.3722 ± 0.0006 Å
b	13.6529 ± 0.0008 Å
c	11.6978 ± 0.0007 Å
α	90°
β	90.102 ± 0.004°
γ	90°
Cell volume	1656.53 ± 0.17 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	8
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	0.0755
Residual factor for significantly intense reflections	0.0419
Weighted residual factors for significantly intense reflections	0.0945
Weighted residual factors for all reflections included in the refinement	0.104
Goodness-of-fit parameter for all reflections included in the refinement	0.919
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Diffraction radiation X-ray symbol	K-L~2,3~
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178723 (current)	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/34.	4083424.cif
119266	2014-07-05	cif/ Updating files of 4083423, 4083424, 4083425 Original log message: Adding full bibliography for 4083423--4083425.cif.	4083424.cif
114651	2014-05-29	cif/ Adding structures of 4083423, 4083424, 4083425 via cif-deposit CGI script.	4083424.cif