Crystallography Open Database

Information card for entry 1573152

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Coordinates	1573152.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H24 B Cl Co F10 Fe N15 O5
Calculated formula	C36 H24 B Cl Co F10 Fe N15 O5
Title of publication	Spin state modulation and kinetic control of thermal contraction in a [Fe<sub>2</sub>Co<sub>2</sub>] discrete Prussian blue analogue.
Authors of publication	Yadav, Jyoti; Konar, Sanjit
Journal of publication	Chemical science
Year of publication	2024
Journal volume	16
Journal issue	1
Pages of publication	130 - 138
a	14.6328 ± 0.001 Å
b	21.6526 ± 0.0017 Å
c	14.4816 ± 0.0012 Å
α	90°
β	107.596 ± 0.004°
γ	90°
Cell volume	4373.6 ± 0.6 Å³
Cell temperature	140 ± 2 K
Ambient diffraction temperature	140 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	0.1404
Residual factor for significantly intense reflections	0.0918
Weighted residual factors for significantly intense reflections	0.186
Weighted residual factors for all reflections included in the refinement	0.2086
Goodness-of-fit parameter for all reflections included in the refinement	1.127
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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