Crystallography Open Database

Information card for entry 7028908

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Coordinates	7028908.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	[Fe(mes)2(IPr)]
Formula	C45 H58 Fe N2
Calculated formula	C45 H58 Fe N2
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	12.3163 ± 0.0001 Å
b	17.9494 ± 0.0001 Å
c	18.0222 ± 0.0001 Å
α	90°
β	98.365 ± 0.001°
γ	90°
Cell volume	3941.79 ± 0.05 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0404
Residual factor for significantly intense reflections	0.0356
Weighted residual factors for significantly intense reflections	0.0936
Weighted residual factors for all reflections included in the refinement	0.0974
Goodness-of-fit parameter for all reflections included in the refinement	1.022
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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