Crystallography Open Database

Information card for entry 1551943

1551942 << 1551943 >> 1551944

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Coordinates	1551943.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	8.5839 ± 0.0003 Å
b	16.1495 ± 0.0004 Å
c	12.6794 ± 0.0004 Å
α	90°
β	126.348 ± 0.002°
γ	90°
Cell volume	1415.7 ± 0.08 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	0.0648
Residual factor for significantly intense reflections	0.056
Weighted residual factors for significantly intense reflections	0.1498
Weighted residual factors for all reflections included in the refinement	0.1666
Goodness-of-fit parameter for all reflections included in the refinement	1.107
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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