Crystallography Open Database

Information card for entry 1551941

1551940 << 1551941 >> 1551942

Preview

Coordinates	1551941.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H22 Ag2 Fe N6
Calculated formula	C30 H22 Ag2 Fe N6
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	12.2648 ± 0.0005 Å
b	14.7116 ± 0.0006 Å
c	16.75 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	3022.3 ± 0.2 Å³
Cell temperature	260 ± 2 K
Ambient diffraction temperature	260 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0542
Residual factor for significantly intense reflections	0.032
Weighted residual factors for significantly intense reflections	0.0648
Weighted residual factors for all reflections included in the refinement	0.0719
Goodness-of-fit parameter for all reflections included in the refinement	1.079
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1551941.html