Crystallography Open Database

Information card for entry 1551951

1551950 << 1551951 >> 1551952

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Coordinates	1551951.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	12.2405 ± 0.0007 Å
b	13.9694 ± 0.0009 Å
c	16.0892 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	2751.1 ± 0.3 Å³
Cell temperature	120 K
Ambient diffraction temperature	120 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	0.0591
Residual factor for significantly intense reflections	0.0482
Weighted residual factors for significantly intense reflections	0.1002
Weighted residual factors for all reflections included in the refinement	0.1054
Goodness-of-fit parameter for all reflections included in the refinement	1.099
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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