Crystallography Open Database

Information card for entry 7716597

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Coordinates	7716597.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H46 Al I N2 O
Calculated formula	C31 H46 Al I N2 O
Title of publication	Mechanochemical synthesis of iron aluminyl complexes.
Authors of publication	Kallmeier, Fabian; Matthews, Aidan J. R.; Nelmes, Gareth R.; Lawson, Nina R.; Hicks, Jamie
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2024
Journal volume	53
Journal issue	30
Pages of publication	12450 - 12454
a	13.8403 ± 0.0008 Å
b	18.5282 ± 0.0009 Å
c	12.567 ± 0.0006 Å
α	90°
β	103.509 ± 0.006°
γ	90°
Cell volume	3133.5 ± 0.3 Å³
Cell temperature	150.01 ± 0.1 K
Ambient diffraction temperature	150.15 K
Number of distinct elements	6
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	0.0785
Residual factor for significantly intense reflections	0.0475
Weighted residual factors for significantly intense reflections	0.0892
Weighted residual factors for all reflections included in the refinement	0.1019
Goodness-of-fit parameter for all reflections included in the refinement	1.014
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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