Crystallography Open Database

Information card for entry 7718902

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Coordinates	7718902.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C85 H117 Al Fe2
Calculated formula	C85 H117 Al Fe2
Title of publication	Structural characterization of a dicoordinated bis(ferrocenyl)aluminum cation.
Authors of publication	Anzai, Togo; Sugamata, Koh; Morisako, Shogo; Sasamori, Takahiro
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2025
Journal volume	54
Journal issue	27
Pages of publication	10667 - 10672
a	12.0944 ± 0.0001 Å
b	16.8743 ± 0.0002 Å
c	37.3262 ± 0.0005 Å
α	90°
β	94.941 ± 0.001°
γ	90°
Cell volume	7589.39 ± 0.15 Å³
Cell temperature	103 ± 2 K
Ambient diffraction temperature	103 ± 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	0.0644
Residual factor for significantly intense reflections	0.0554
Weighted residual factors for significantly intense reflections	0.112
Weighted residual factors for all reflections included in the refinement	0.1156
Goodness-of-fit parameter for all reflections included in the refinement	1.174
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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