Crystallography Open Database

Information card for entry 7102365

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Coordinates	7102365.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H33 Fe O12
Calculated formula	C48 H33 Fe2 O12
Title of publication	Manganese and iron flavonolates as flavonol 2,4-dioxygenase mimics.
Authors of publication	Kaizer, József; Baráth, Gábor; Pap, József; Speier, Gábor; Giorgi, Michel; Réglier, Marius
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2007
Journal issue	48
Pages of publication	5235 - 5237
a	15.488 ± 0.0005 Å
b	15.488 ± 0.0005 Å
c	19.997 ± 0.0005 Å
α	90°
β	90°
γ	120°
Cell volume	4154.2 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	159
Hermann-Mauguin space group symbol	P 3 1 c
Hall space group symbol	P 3 -2c
Residual factor for all reflections	0.0834
Residual factor for significantly intense reflections	0.0725
Weighted residual factors for significantly intense reflections	0.1901
Weighted residual factors for all reflections included in the refinement	0.1992
Goodness-of-fit parameter for all reflections included in the refinement	1.097
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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