Crystallography Open Database

Information card for entry 7718226

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Coordinates	7718226.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H49 Al Br2 Fe
Calculated formula	C38 H49 Al Br2 Fe
Title of publication	Monomeric tri-coordinated bis(ferrocenyl)haloalumanes.
Authors of publication	Anzai, Togo; Sugamata, Koh; Sasamori, Takahiro
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2025
Journal volume	54
Journal issue	4
Pages of publication	1360 - 1364
a	9.6531 ± 0.0006 Å
b	13.4278 ± 0.0009 Å
c	14.0646 ± 0.0009 Å
α	89.361 ± 0.005°
β	81.596 ± 0.005°
γ	85.812 ± 0.005°
Cell volume	1798.7 ± 0.2 Å³
Cell temperature	103 ± 2 K
Ambient diffraction temperature	103 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.2521
Residual factor for significantly intense reflections	0.1355
Weighted residual factors for significantly intense reflections	0.2051
Weighted residual factors for all reflections included in the refinement	0.2467
Goodness-of-fit parameter for all reflections included in the refinement	1.126
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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