Crystallography Open Database

Information card for entry 1573156

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Coordinates	1573156.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H29 B Cl Co F10 Fe N15 O7
Calculated formula	C38 H29 B Cl Co F10 Fe N15 O7
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	14.852 ± 0.005 Å
b	20.7 ± 0.008 Å
c	15.425 ± 0.006 Å
α	90°
β	103.695 ± 0.011°
γ	90°
Cell volume	4607 ± 3 Å³
Cell temperature	168 ± 2 K
Ambient diffraction temperature	168 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	0.081
Residual factor for significantly intense reflections	0.0439
Weighted residual factors for significantly intense reflections	0.0912
Weighted residual factors for all reflections included in the refinement	0.1078
Goodness-of-fit parameter for all reflections included in the refinement	1.008
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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