Crystallography Open Database

Information card for entry 7124052

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Coordinates	7124052.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H20 Ag2 Fe N8 O
Calculated formula	C31 H20 Ag2 Fe N8 O
Title of publication	Hysteretic Four-Step Spin-Crossover in a 3D Hofmann-type Metal-Organic Framework with Aromatic Guest
Authors of publication	Zhang, Cui-Juan; Lian, Kai-Ting; Huang, Guo-Zhang; Bala, Sukhen; Ni, Zhao-Ping; Tong, Ming-Liang
Journal of publication	Chemical Communications
Year of publication	2019
a	20.8653 ± 0.0012 Å
b	28.7182 ± 0.0018 Å
c	13.9679 ± 0.0008 Å
α	90°
β	131.492 ± 0.002°
γ	90°
Cell volume	6269.4 ± 0.7 Å³
Cell temperature	239 ± 2 K
Ambient diffraction temperature	239.11 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1076
Residual factor for significantly intense reflections	0.0672
Weighted residual factors for significantly intense reflections	0.1299
Weighted residual factors for all reflections included in the refinement	0.143
Goodness-of-fit parameter for all reflections included in the refinement	1.148
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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