Crystallography Open Database

Information card for entry 2022684

2022683 << 2022684 >> 2022685

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Structure parameters

Chemical name	Bis(1,2,3-tribromocyclopentadienyl)iron(II)
Formula	C10 H4.04 Br5.96 Fe
Calculated formula	C10 H4.036 Br5.964 Fe
Title of publication	Isolation and crystal and molecular structures of [(C5H2Br3)2Fe], [(C5HBr4)2Fe] and [(C5Br5)(C5Br4HgBr)Fe]
Authors of publication	Blockhaus, Tobias; Sünkel, Karlheinz
Journal of publication	Acta Crystallographica Section C Structural Chemistry
Year of publication	2022
Journal volume	78
Journal issue	11
a	7.0903 ± 0.0003 Å
b	7.4318 ± 0.0005 Å
c	13.8071 ± 0.0005 Å
α	88.745 ± 0.004°
β	84.993 ± 0.003°
γ	77.728 ± 0.004°
Cell volume	708.21 ± 0.06 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0622
Residual factor for significantly intense reflections	0.0431
Weighted residual factors for significantly intense reflections	0.0832
Weighted residual factors for all reflections included in the refinement	0.0899
Goodness-of-fit parameter for all reflections included in the refinement	1.088
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	Yes

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