Crystallography Open Database

Information card for entry 7003899

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Coordinates	7003899.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H34 Fe I In N2 O2
Calculated formula	C30 H34 Fe I In N2 O2
Title of publication	Organoiron compounds derived from the indium ‘carbene analogues’, [In{N(Ar)C(Me)}2CH] (Ar = dipp = 2,6-iPr2C6H3; = Mes = 2,4,6-Me3C6H2)
Authors of publication	Hill, Michael S.; Hitchcock, Peter B.; Pongtavornpinyo, Ruti
Journal of publication	Dalton Transactions
Year of publication	2008
Journal issue	21
Pages of publication	2854 - 2860
a	9.3068 ± 0.0003 Å
b	9.766 ± 0.0003 Å
c	17.5106 ± 0.0005 Å
α	77.283 ± 0.002°
β	76.552 ± 0.002°
γ	83.664 ± 0.002°
Cell volume	1506.99 ± 0.08 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0347
Residual factor for significantly intense reflections	0.0285
Weighted residual factors for significantly intense reflections	0.0577
Weighted residual factors for all reflections included in the refinement	0.0602
Goodness-of-fit parameter for all reflections included in the refinement	1.042
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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