Crystallography Open Database

Information card for entry 4515141

Preview

Coordinates	4515141.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H25 F6 N2 O4 S3
Calculated formula	C22 H25 F6 N2 O4 S3
Title of publication	Strategy for Stimuli-Induced Spin Control Using a Liquescent Radical Cation.
Authors of publication	Suzuki, Shuichi; Maya, Ryochi; Uchida, Yoshiaki; Naota, Takeshi
Journal of publication	ACS omega
Year of publication	2019
Journal volume	4
Journal issue	6
Pages of publication	10031 - 10035
a	7.683 ± 0.0015 Å
b	13.097 ± 0.003 Å
c	13.447 ± 0.002 Å
α	77.155 ± 0.016°
β	82.425 ± 0.015°
γ	76.579 ± 0.014°
Cell volume	1278.6 ± 0.4 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0941
Residual factor for significantly intense reflections	0.0572
Weighted residual factors for significantly intense reflections	0.1257
Weighted residual factors for all reflections included in the refinement	0.1343
Goodness-of-fit parameter for all reflections included in the refinement	0.837
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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