Crystallography Open Database

Information card for entry 7718230

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Coordinates	7718230.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C51 H66 Al Br2 Fe O
Calculated formula	C51 H66 Al Br2 Fe O
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	9.8469 ± 0.0002 Å
b	14.9905 ± 0.0003 Å
c	16.4903 ± 0.0003 Å
α	103.731 ± 0.002°
β	90.967 ± 0.001°
γ	92.201 ± 0.002°
Cell volume	2361.98 ± 0.08 Å³
Cell temperature	103 ± 2 K
Ambient diffraction temperature	103 ± 2 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	0.029
Residual factor for significantly intense reflections	0.0262
Weighted residual factors for significantly intense reflections	0.0659
Weighted residual factors for all reflections included in the refinement	0.0673
Goodness-of-fit parameter for all reflections included in the refinement	1.017
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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