Crystallography Open Database

Information card for entry 7232521

Preview

Coordinates	7232521.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H36 Cu2 F12 N14 O14 S8
Calculated formula	C28 H36 Cu2 F12 N14 O14 S8
Title of publication	Factors that determine thione(thiol)‒disulfide interconversion in a bis(thiosemicarbazone) copper(ii) complex
Authors of publication	Jeong, Haewon; Kang, Yeji; Kim, Jin; Kim, Byung-Kwon; Hong, Seungwoo
Journal of publication	RSC Advances
Year of publication	2019
Journal volume	9
Journal issue	16
Pages of publication	9049
a	9.406 ± 0.003 Å
b	12.823 ± 0.004 Å
c	42.578 ± 0.014 Å
α	90°
β	95.368 ± 0.005°
γ	90°
Cell volume	5113 ± 3 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1586
Residual factor for significantly intense reflections	0.1148
Weighted residual factors for significantly intense reflections	0.2856
Weighted residual factors for all reflections included in the refinement	0.3171
Goodness-of-fit parameter for all reflections included in the refinement	1.024
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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