Crystallography Open Database

Information card for entry 7046203

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Coordinates	7046203.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H22 Fe N2
Calculated formula	C20 H22 Fe N2
Title of publication	Aminotroponiminates: ligand-centred, reversible redox events under oxidative conditions in sodium and bismuth complexes.
Authors of publication	Hanft, Anna; Lichtenberg, Crispin
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2018
Journal volume	47
Journal issue	31
Pages of publication	10578 - 10589
a	28.5012 ± 0.0014 Å
b	5.7094 ± 0.0003 Å
c	10.1021 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	1643.86 ± 0.14 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.1127
Residual factor for significantly intense reflections	0.097
Weighted residual factors for significantly intense reflections	0.2235
Weighted residual factors for all reflections included in the refinement	0.2314
Goodness-of-fit parameter for all reflections included in the refinement	1.063
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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