Crystallography Open Database

Information card for entry 7718228

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Coordinates	7718228.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C79 H105 Al Br Fe2
Calculated formula	C79 H105 Al Br Fe2
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	30.2977 ± 0.0008 Å
b	11.2247 ± 0.0002 Å
c	24.8238 ± 0.0006 Å
α	90°
β	122.98 ± 0.004°
γ	90°
Cell volume	7081.8 ± 0.4 Å³
Cell temperature	103 ± 2 K
Ambient diffraction temperature	103 ± 2 K
Number of distinct elements	5
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.0417
Residual factor for significantly intense reflections	0.0345
Weighted residual factors for significantly intense reflections	0.0744
Weighted residual factors for all reflections included in the refinement	0.0771
Goodness-of-fit parameter for all reflections included in the refinement	1.025
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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