Crystallography Open Database

Information card for entry 1573142

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Coordinates	1573142.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H22 B Cl Co F10 Fe N15 O4
Calculated formula	C36 H22 B Cl Co F10 Fe N15 O4
Title of publication	Spin State Modulation and Kinetic Control of Thermal Contraction in a [Fe2Co2] Discrete Prussian Blue Analogue
Authors of publication	Yadav, Jyoti; Konar, Sanjit
Journal of publication	Chemical Science
Year of publication	2024
a	14.768 ± 0.003 Å
b	22.615 ± 0.006 Å
c	14.318 ± 0.004 Å
α	90°
β	109.286 ± 0.005°
γ	90°
Cell volume	4514 ± 2 Å³
Cell temperature	117 K
Ambient diffraction temperature	117 K
Number of distinct elements	9
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1714
Residual factor for significantly intense reflections	0.0707
Weighted residual factors for significantly intense reflections	0.1326
Weighted residual factors for all reflections included in the refinement	0.1738
Goodness-of-fit parameter for all reflections included in the refinement	1.015
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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