Crystallography Open Database

Information card for entry 7718628

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Coordinates	7718628.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H32 Fe2 Li2 N6 O8
Calculated formula	C22 H32 Fe2 Li2 N6 O8
Title of publication	Pnictogen-functionalised isocyanide ligands.
Authors of publication	Kirk, Ryan M.; Hill, Anthony F.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2025
Journal volume	54
Journal issue	22
Pages of publication	8881 - 8887
a	9.6531 ± 0.0015 Å
b	9.7961 ± 0.0015 Å
c	10.6609 ± 0.0013 Å
α	116.394 ± 0.014°
β	108.038 ± 0.012°
γ	97.046 ± 0.013°
Cell volume	817.6 ± 0.3 Å³
Cell temperature	150 ± 0.1 K
Ambient diffraction temperature	150 ± 0.1 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0973
Residual factor for significantly intense reflections	0.0644
Weighted residual factors for significantly intense reflections	0.1674
Weighted residual factors for all reflections included in the refinement	0.1797
Goodness-of-fit parameter for all reflections included in the refinement	0.944
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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