Crystallography Open Database

Information card for entry 1551944

1551943 << 1551944 >> 1551945

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Coordinates	1551944.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	8.6431 ± 0.0002 Å
b	15.4288 ± 0.0004 Å
c	12.7452 ± 0.0003 Å
α	90°
β	126.962 ± 0.002°
γ	90°
Cell volume	1358.04 ± 0.07 Å³
Cell temperature	120 K
Ambient diffraction temperature	120 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	0.0498
Residual factor for significantly intense reflections	0.0433
Weighted residual factors for significantly intense reflections	0.1074
Weighted residual factors for all reflections included in the refinement	0.118
Goodness-of-fit parameter for all reflections included in the refinement	1.057
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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