Crystallography Open Database

Information card for entry 7046457

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Structure parameters

Formula	C49 H49 Fe N4 O7
Calculated formula	C49 H49 Fe N4 O7
Title of publication	Chiroptical and magnetic properties of star-shaped Fe complexes from chiral Schiff bases. Structural and magnetic correlations based on continuous shape measures.
Authors of publication	Mayans, Julia; Font-Bardia, Mercè; Escuer, Albert
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2018
Journal volume	47
Journal issue	25
Pages of publication	8392 - 8401
a	10.7824 ± 0.0006 Å
b	18.1395 ± 0.0008 Å
c	11.301 ± 0.0006 Å
α	90°
β	99.806 ± 0.002°
γ	90°
Cell volume	2178.04 ± 0.19 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0242
Residual factor for significantly intense reflections	0.0228
Weighted residual factors for significantly intense reflections	0.0553
Weighted residual factors for all reflections included in the refinement	0.056
Goodness-of-fit parameter for all reflections included in the refinement	1.052
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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