Crystallography Open Database

Information card for entry 7717186

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Coordinates	7717186.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H48 Fe N2 S2
Calculated formula	C34 H48 Fe N2 S2
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	25.1503 ± 0.0004 Å
b	18.8912 ± 0.0003 Å
c	16.8354 ± 0.0003 Å
α	90°
β	123.62 ± 0.001°
γ	90°
Cell volume	6660.8 ± 0.2 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	5
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	0.0452
Residual factor for significantly intense reflections	0.0362
Weighted residual factors for significantly intense reflections	0.0884
Weighted residual factors for all reflections included in the refinement	0.0936
Goodness-of-fit parameter for all reflections included in the refinement	1.036
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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