Crystallography Open Database

Information card for entry 7719913

7719912 << 7719913 >> 7719914

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Coordinates	7719913.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37 H29 F12 Fe N17 O9 S4
Calculated formula	C37 H29 F12 Fe N17 O9 S4
Title of publication	Magnetic-dielectric switching with wide hysteresis in an Fe(II) spin-crossover compound.
Authors of publication	Ying, Ting-Ting; Chen, Yan-Cong; Ruan, Ze-Yu; Ni, Zhao-Ping; Tong, Ming-Liang
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2025
a	9.0052 ± 0.0003 Å
b	22.0866 ± 0.0007 Å
c	25.7311 ± 0.0011 Å
α	90°
β	90°
γ	90°
Cell volume	5117.8 ± 0.3 Å³
Cell temperature	298.47 ± 0.1 K
Ambient diffraction temperature	298.47 ± 0.1 K
Number of distinct elements	7
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.1469
Residual factor for significantly intense reflections	0.1191
Weighted residual factors for significantly intense reflections	0.3139
Weighted residual factors for all reflections included in the refinement	0.3394
Goodness-of-fit parameter for all reflections included in the refinement	0.972
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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