Crystallography Open Database

Information card for entry 7717185

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Coordinates	7717185.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H70 N4 O S4 Zn2
Calculated formula	C46 H48 N4 S4 Zn2
Title of publication	Helical dinuclear 3d metal complexes with bis(bidentate) [S,N] ligands: synthesis, structural and computational studies
Authors of publication	Allen, Jamie; Saßmannshausen, Jörg; Singh, Kuldip; Kilpatrick, Alexander F. R.
Journal of publication	Dalton Transactions
Year of publication	2024
a	13.9162 ± 0.0005 Å
b	19.8942 ± 0.0007 Å
c	22.5497 ± 0.001 Å
α	90°
β	100.993 ± 0.001°
γ	90°
Cell volume	6128.4 ± 0.4 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0407
Residual factor for significantly intense reflections	0.0377
Weighted residual factors for significantly intense reflections	0.1179
Weighted residual factors for all reflections included in the refinement	0.1222
Goodness-of-fit parameter for all reflections included in the refinement	1.062
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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