Crystallography Open Database

Information card for entry 1575480

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Coordinates	1575480.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H36 N4 S4 Si2
Calculated formula	C42 H36 N4 S4 Si2
Title of publication	Ag-induced homochiral <i>versus</i> heterochiral double helicates based on cyclooctatetrathiophene-bipyridine.
Authors of publication	Wang, Chenglong; Yang, Jie; Miao, Guanfeng; Ma, Zhiying; Wang, Guangxia; Wang, Hua
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2025
Journal volume	54
Journal issue	35
Pages of publication	13048 - 13052
a	13.7578 ± 0.0013 Å
b	15.9691 ± 0.0016 Å
c	20.936 ± 0.002 Å
α	102.507 ± 0.005°
β	97.552 ± 0.005°
γ	110.27 ± 0.005°
Cell volume	4104 ± 0.7 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296.29 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	0.0617
Residual factor for significantly intense reflections	0.0453
Weighted residual factors for significantly intense reflections	0.1141
Weighted residual factors for all reflections included in the refinement	0.1248
Goodness-of-fit parameter for all reflections included in the refinement	1.033
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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