Crystallography Open Database

Information card for entry 7131997

7131996 << 7131997 >> 7131998

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Coordinates	7131997.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C103.39 H71.55 B F4 Fe3 N18 O13.39
Calculated formula	C103.386 H71.544 B0.9999 F3.9996 Fe3 N18 O13.386
Title of publication	A Supramolecular Helicate with Two Independent Fe(II) Switchable Centres and a [Fe(anilate)3]3− Guest
Authors of publication	BARRIOS MORENO, LEONI ALEJANDRA ALEJANDRA; Teat, Simon; Roubeau, Olivier; Aromi, Guillem
Journal of publication	Chemical Communications
Year of publication	2023
a	21.692 ± 0.003 Å
b	21.692 ± 0.003 Å
c	21.692 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	10207 ± 2 Å³
Cell temperature	360 ± 2 K
Ambient diffraction temperature	360 ± 2 K
Number of distinct elements	7
Space group number	198
Hermann-Mauguin space group symbol	P 21 3
Hall space group symbol	P 2ac 2ab 3
Residual factor for all reflections	0.0472
Residual factor for significantly intense reflections	0.0455
Weighted residual factors for significantly intense reflections	0.1342
Weighted residual factors for all reflections included in the refinement	0.1373
Goodness-of-fit parameter for all reflections included in the refinement	1.048
Diffraction radiation wavelength	0.72932 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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