Crystallography Open Database

Information card for entry 7134871

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Coordinates	7134871.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H14 F2 Fe K N8
Calculated formula	C10.0002 H14.0016 F2.0004 Fe K N8.0004
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	11.7509 ± 0.0001 Å
b	11.7509 ± 0.0001 Å
c	11.7509 ± 0.0001 Å
α	90°
β	90°
γ	90°
Cell volume	1622.61 ± 0.02 Å³
Cell temperature	323 ± 2 K
Ambient diffraction temperature	323.15 K
Number of distinct elements	6
Space group number	205
Hermann-Mauguin space group symbol	P a -3
Hall space group symbol	-P 2ac 2ab 3
Residual factor for all reflections	0.0548
Residual factor for significantly intense reflections	0.0454
Weighted residual factors for significantly intense reflections	0.1167
Weighted residual factors for all reflections included in the refinement	0.1244
Goodness-of-fit parameter for all reflections included in the refinement	1.024
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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