Crystallography Open Database

Information card for entry 4083423

Preview

Coordinates	4083423.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	(bromodimethylstibine-Sb)dicarbonyl(cyclopentadienyl)iron(II) tetrafluoroborate
Formula	C9 H11 B Br F4 Fe O2 Sb
Calculated formula	C9 H11 B Br F4 Fe O2 Sb
SMILES	[Sb](Br)([Fe]1234(C#[O])(C#[O])[cH]5[cH]4[cH]3[cH]2[cH]15)(C)C.[B](F)(F)(F)[F-]
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	8.8658 ± 0.0011 Å
b	8.9344 ± 0.0012 Å
c	9.3885 ± 0.0011 Å
α	107.836 ± 0.008°
β	90.427 ± 0.006°
γ	93.806 ± 0.007°
Cell volume	706.06 ± 0.16 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0288
Residual factor for significantly intense reflections	0.0266
Weighted residual factors for significantly intense reflections	0.0663
Weighted residual factors for all reflections included in the refinement	0.0678
Goodness-of-fit parameter for all reflections included in the refinement	1.023
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
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.	4083423.cif
119266	2014-07-05	cif/ Updating files of 4083423, 4083424, 4083425 Original log message: Adding full bibliography for 4083423--4083425.cif.	4083423.cif
114651	2014-05-29	cif/ Adding structures of 4083423, 4083424, 4083425 via cif-deposit CGI script.	4083423.cif