Crystallography Open Database

Information card for entry 7230628

Preview

Coordinates	7230628.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	TTF2_complex_block
Chemical name	TTF2_complex_block
Formula	C30 H16 F4 I5 S8
Calculated formula	C30 H16 F4 I5 S8
Title of publication	A weaker donor shows higher oxidation state upon aggregation
Authors of publication	Ma, Longfei; Peng, Haili; Lu, Xiaofeng; Liu, Lei; Shao, Xiangfeng
Journal of publication	RSC Advances
Year of publication	2018
Journal volume	8
Journal issue	31
Pages of publication	17321
a	12.3537 ± 0.0006 Å
b	13.4244 ± 0.001 Å
c	13.8282 ± 0.001 Å
α	61.486 ± 0.007°
β	76.191 ± 0.005°
γ	83.59 ± 0.005°
Cell volume	1956.9 ± 0.3 Å³
Cell temperature	173 ± 1 K
Ambient diffraction temperature	173 ± 1 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0855
Residual factor for significantly intense reflections	0.0517
Weighted residual factors for significantly intense reflections	0.106
Weighted residual factors for all reflections included in the refinement	0.1288
Goodness-of-fit parameter for all reflections included in the refinement	1.026
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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