Crystallography Open Database

Information card for entry 7124046

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Coordinates	7124046.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C124 H80 Ag8 Fe4 N32 O4
Calculated formula	C124 H80 Ag8 Fe4 N32 O4
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	27.8418 ± 0.0018 Å
b	17.5236 ± 0.0014 Å
c	13.7996 ± 0.0009 Å
α	67.033 ± 0.002°
β	76.138 ± 0.002°
γ	87.708 ± 0.003°
Cell volume	6007.6 ± 0.7 Å³
Cell temperature	188 ± 2 K
Ambient diffraction temperature	188.12 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.2182
Residual factor for significantly intense reflections	0.0798
Weighted residual factors for significantly intense reflections	0.1207
Weighted residual factors for all reflections included in the refinement	0.1531
Goodness-of-fit parameter for all reflections included in the refinement	1.023
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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