Crystallography Open Database

Information card for entry 1575064

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Coordinates	1575064.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C82 H114 Fe2 O S Sn
Calculated formula	C82 H114 Fe2 O S Sn
Title of publication	Ferrocenyl Substituted Stannanethione and Stannaneselone
Authors of publication	Iijima, Keisuke; Sugamata, Koh; Sasamori, Takahiro
Journal of publication	Molecules
Year of publication	2025
Journal volume	30
Journal issue	13
Pages of publication	2826
a	11.5071 ± 0.0001 Å
b	16.237 ± 0.0002 Å
c	20.2036 ± 0.0002 Å
α	90°
β	104.665 ± 0.001°
γ	90°
Cell volume	3651.88 ± 0.07 Å³
Cell temperature	103 ± 2 K
Ambient diffraction temperature	103 ± 2 K
Number of distinct elements	6
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/c 1
Hall space group symbol	-P 2yc
Residual factor for all reflections	0.0348
Residual factor for significantly intense reflections	0.0315
Weighted residual factors for significantly intense reflections	0.0764
Weighted residual factors for all reflections included in the refinement	0.078
Goodness-of-fit parameter for all reflections included in the refinement	1.068
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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