Crystallography Open Database

Information card for entry 7028914

Preview

Coordinates	7028914.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	[Fe(aIPr-H)(O6C10H20K)]2
Formula	C74 H110 Fe2 K2 N4 O12
Calculated formula	C74 H110 Fe2 K2 N4 O12
Title of publication	Iron(ii) complexes of ditopic carbanionic carbenes.
Authors of publication	Musgrave, Rebecca A.; Turbervill, Robert S. P.; Irwin, Mark; Herchel, Radovan; Goicoechea, Jose M.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2014
Journal volume	43
Journal issue	11
Pages of publication	4335 - 4344
a	23.4906 ± 0.0007 Å
b	20.2128 ± 0.0007 Å
c	33.1958 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	15761.7 ± 0.8 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
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	0.1338
Residual factor for significantly intense reflections	0.0751
Weighted residual factors for significantly intense reflections	0.1787
Weighted residual factors for all reflections included in the refinement	0.2035
Goodness-of-fit parameter for all reflections included in the refinement	1.012
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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