Crystallography Open Database

Information card for entry 7134870

Preview

Coordinates	7134870.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H28 F4 Fe2 K2 N16
Calculated formula	C20.0064 H28.0224 F4.0032 Fe2 K2 N16.0032
Title of publication	Effective enhancement of mechanical properties <i>via</i> H/F substitution in 3D cyanide hybrid perovskites.
Authors of publication	Ji, Luan-Ying; Zhou, Jun-Si; Liu, Shu-Yi; Qin, Yan; Lv, Hui-Peng; Chen, Xiao-Gang
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2025
Journal volume	61
Journal issue	70
Pages of publication	13165 - 13168
a	11.8392 ± 0.0004 Å
b	11.8392 ± 0.0004 Å
c	11.8392 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	1659.46 ± 0.1 Å³
Cell temperature	423 ± 2 K
Ambient diffraction temperature	423 ± 2 K
Number of distinct elements	6
Space group number	225
Hermann-Mauguin space group symbol	F m -3 m
Hall space group symbol	-F 4 2 3
Residual factor for all reflections	0.0797
Residual factor for significantly intense reflections	0.0795
Weighted residual factors for significantly intense reflections	0.2112
Weighted residual factors for all reflections included in the refinement	0.2131
Goodness-of-fit parameter for all reflections included in the refinement	1.154
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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