Crystallography Open Database

Information card for entry 7128506

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Coordinates	7128506.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C58 H82 Al2 N4 S2
Calculated formula	C58 H82 Al2 N4 S2
Title of publication	Complete Deconstruction of SF6 by an Aluminium(I) Compound
Authors of publication	Sheldon, Daniel James; Crimmin, Mark Richard
Journal of publication	Chemical Communications
Year of publication	2021
a	22.3453 ± 0.0005 Å
b	14.735 ± 0.0003 Å
c	16.3947 ± 0.0003 Å
α	90°
β	90.3187 ± 0.0018°
γ	90°
Cell volume	5398 ± 0.19 Å³
Cell temperature	173.1 ± 0.14 K
Ambient diffraction temperature	173.1 ± 0.14 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	0.0688
Residual factor for significantly intense reflections	0.0564
Weighted residual factors for significantly intense reflections	0.1563
Weighted residual factors for all reflections included in the refinement	0.1734
Goodness-of-fit parameter for all reflections included in the refinement	1.066
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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