Crystallography Open Database

Information card for entry 7716603

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Coordinates	7716603.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H67 Al Fe N2 O3
Calculated formula	C54 H67 Al Fe N2 O3
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	11.1074 ± 0.0001 Å
b	18.5869 ± 0.0002 Å
c	23.6162 ± 0.0002 Å
α	90°
β	92.65 ± 0.001°
γ	90°
Cell volume	4870.4 ± 0.08 Å³
Cell temperature	150 ± 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	0.0451
Residual factor for significantly intense reflections	0.0387
Weighted residual factors for significantly intense reflections	0.092
Weighted residual factors for all reflections included in the refinement	0.0949
Goodness-of-fit parameter for all reflections included in the refinement	1.041
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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