Crystallography Open Database

Information card for entry 1571270

Preview

Coordinates	1571270.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	2-Ferrocenyl-2-[(2-ferrocenylethenyl)(morpholin-4-yl)methyl]-1,3-dithiolane
Formula	C29 H31 Fe2 N O S2
Calculated formula	C29 H31 Fe2 N O S2
Title of publication	2-Ferrocenyl-2-[(2-ferrocenylethenyl)(morpholin-4-yl)methyl]-1,3-dithiolane
Authors of publication	Oliva-Colunga, Claudia; Sánchez García, Jessica J.; Flores-Alamo, Marcos; Klimova, Elena I.
Journal of publication	IUCrData
Year of publication	2024
Journal volume	9
Journal issue	3
a	7.5425 ± 0.0003 Å
b	17.6838 ± 0.0009 Å
c	18.892 ± 0.0011 Å
α	90°
β	90°
γ	90°
Cell volume	2519.8 ± 0.2 Å³
Cell temperature	130 ± 2 K
Ambient diffraction temperature	130 ± 2 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0631
Residual factor for significantly intense reflections	0.0555
Weighted residual factors for significantly intense reflections	0.1274
Weighted residual factors for all reflections included in the refinement	0.1386
Goodness-of-fit parameter for all reflections included in the refinement	1.056
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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