Crystallography Open Database

Information card for entry 1551950

1551949 << 1551950 >> 1551951

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Coordinates	1551950.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	8.1858 ± 0.0008 Å
b	16.4312 ± 0.0016 Å
c	12.5534 ± 0.0012 Å
α	90°
β	122.72 ± 0.003°
γ	90°
Cell volume	1420.5 ± 0.2 Å³
Cell temperature	185 K
Ambient diffraction temperature	185 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1322
Residual factor for significantly intense reflections	0.0841
Weighted residual factors for significantly intense reflections	0.2095
Weighted residual factors for all reflections included in the refinement	0.2435
Goodness-of-fit parameter for all reflections included in the refinement	1.05
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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