Crystallography Open Database

Information card for entry 1567936

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Coordinates	1567936.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C55 H112 Fe K2 N3 O13 Si6
Calculated formula	C55 H112 Fe K2 N3 O13 Si6
Title of publication	Taming the Stilbene Radical Anion
Authors of publication	Sieg, Grégoire; Müller, Igor; Weißer, Kilian; Werncke, Gunnar
Journal of publication	Chemical Science
Year of publication	2022
a	10.7165 ± 0.0003 Å
b	17.976 ± 0.0004 Å
c	19.6298 ± 0.0004 Å
α	80.478 ± 0.001°
β	84.376 ± 0.001°
γ	84.004 ± 0.001°
Cell volume	3696.4 ± 0.15 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0584
Residual factor for significantly intense reflections	0.0345
Weighted residual factors for significantly intense reflections	0.0868
Weighted residual factors for all reflections included in the refinement	0.0918
Goodness-of-fit parameter for all reflections included in the refinement	1.075
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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