Crystallography Open Database

Information card for entry 1551942

1551941 << 1551942 >> 1551943

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Coordinates	1551942.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H20 Ag2 Fe N8
Calculated formula	C28 H20 Ag2 Fe N8
Title of publication	Spin-Crossover Modulation via Single-Crystal to Single-Crystal Photochemical [2+2] Reaction in Hofmann-Type Frameworks
Authors of publication	Wang, Long-Fei; Zhuang, Wei-Man; Guo-Zhang, Huang; Chen, Yan-Cong; Qiu, Jiang-Zhen; Ni, Zhao-Ping; Tong, Ming-Liang
Journal of publication	Chemical Science
Year of publication	2019
a	8.6055 ± 0.0009 Å
b	15.7668 ± 0.0009 Å
c	12.7192 ± 0.0012 Å
α	89.779 ± 0.008°
β	126.671 ± 0.007°
γ	92.338 ± 0.006°
Cell volume	1382.6 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1136
Residual factor for significantly intense reflections	0.098
Weighted residual factors for significantly intense reflections	0.2459
Weighted residual factors for all reflections included in the refinement	0.2651
Goodness-of-fit parameter for all reflections included in the refinement	1.058
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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