Crystallography Open Database

Information card for entry 1569688

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Coordinates	1569688.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H40 Fe2 N24 O4 W
Calculated formula	C56 H40 Fe2 N24 O4 W
Title of publication	Guest-induced pore breathing controls the spin state in a cyanido-bridged framework.
Authors of publication	Magott, Michał; Płonka, Klaudia; Sieklucka, Barbara; Dziedzic-Kocurek, Katarzyna; Kosaka, Wataru; Miyasaka, Hitoshi; Pinkowicz, Dawid
Journal of publication	Chemical science
Year of publication	2023
Journal volume	14
Journal issue	36
Pages of publication	9651 - 9663
a	19.7947 ± 0.0003 Å
b	19.7947 ± 0.0003 Å
c	16.0477 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	6287.97 ± 0.18 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 K
Number of distinct elements	6
Space group number	88
Hermann-Mauguin space group symbol	I 41/a :2
Hall space group symbol	-I 4ad
Residual factor for all reflections	0.023
Residual factor for significantly intense reflections	0.0201
Weighted residual factors for significantly intense reflections	0.0523
Weighted residual factors for all reflections included in the refinement	0.0535
Goodness-of-fit parameter for all reflections included in the refinement	1.095
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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