Crystallography Open Database

Information card for entry 1551947

1551946 << 1551947 >> 1551948

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Coordinates	1551947.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H10 Ag Fe0.5 N4
Calculated formula	C14 H10 Ag Fe0.5 N4
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	8.296 ± 0.005 Å
b	16.684 ± 0.009 Å
c	12.654 ± 0.007 Å
α	90°
β	122.644 ± 0.018°
γ	90°
Cell volume	1474.8 ± 1.5 Å³
Cell temperature	300 K
Ambient diffraction temperature	300 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	0.1591
Residual factor for significantly intense reflections	0.0908
Weighted residual factors for significantly intense reflections	0.2161
Weighted residual factors for all reflections included in the refinement	0.2666
Goodness-of-fit parameter for all reflections included in the refinement	1.04
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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