Crystallography Open Database

Information card for entry 7716602

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Coordinates	7716602.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C92 H110 Al2 Fe2 N4 O4 Si2
Calculated formula	C92 H110 Al2 Fe2 N4 O4 Si2
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	19.4527 ± 0.0002 Å
b	19.4412 ± 0.0002 Å
c	44.6082 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	16870.1 ± 0.3 Å³
Cell temperature	150 ± 0.1 K
Ambient diffraction temperature	150.15 K
Number of distinct elements	7
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0611
Residual factor for significantly intense reflections	0.0464
Weighted residual factors for significantly intense reflections	0.1126
Weighted residual factors for all reflections included in the refinement	0.1204
Goodness-of-fit parameter for all reflections included in the refinement	1.028
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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