Crystallography Open Database

Information card for entry 7135008

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Coordinates	7135008.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H30 Ag6 Fe3 N18 S3
Calculated formula	C54 H30 Ag6 Fe3 N18 S3
Title of publication	Large dielectric modulation triggered by spin crossover in polar Hofmann-type polymers.
Authors of publication	Yao, Nian-Tao; Jiang, Jiao-Jiao; Qian, Bing-Yuan; Sun, Hui-Ying; Yi, Cheng; Zhao, Liang
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2025
Journal volume	61
Journal issue	85
Pages of publication	16640 - 16643
a	25.546 ± 0.0006 Å
b	25.546 ± 0.0006 Å
c	20.356 ± 0.0006 Å
α	90°
β	90°
γ	120°
Cell volume	11504.5 ± 0.5 Å³
Cell temperature	69.8 K
Ambient diffraction temperature	69.8 K
Number of distinct elements	6
Space group number	170
Hermann-Mauguin space group symbol	P 65
Hall space group symbol	P 65
Residual factor for all reflections	0.0408
Residual factor for significantly intense reflections	0.032
Weighted residual factors for significantly intense reflections	0.0728
Weighted residual factors for all reflections included in the refinement	0.076
Goodness-of-fit parameter for all reflections included in the refinement	1.022
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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