Crystallography Open Database

Information card for entry 7135863

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Coordinates	7135863.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H31 Fe3 N2 O18
Calculated formula	C19 H31 Fe3 N2 O18
Title of publication	Organic Ammonium Flexibility Modulated Phase-Transition Behaviour in 3D Perovskite-like Mixed-valence Iron Complexes
Authors of publication	Ma, Chang-Lei; Li, Chang; Sun, Jia-Yue; Han, Rui-Rui; Liu, Fuchen; Zhao, Jiong-Peng; Yao, Zhao Quan
Journal of publication	Chemical Communications
Year of publication	2026
a	12.1064 ± 0.0008 Å
b	15.2095 ± 0.0013 Å
c	15.3444 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	2825.4 ± 0.4 Å³
Cell temperature	292.69 ± 0.18 K
Ambient diffraction temperature	292.69 ± 0.18 K
Number of distinct elements	5
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	0.0786
Residual factor for significantly intense reflections	0.0594
Weighted residual factors for significantly intense reflections	0.1327
Weighted residual factors for all reflections included in the refinement	0.1433
Goodness-of-fit parameter for all reflections included in the refinement	1.052
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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