Crystallography Open Database

Information card for entry 7122418

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Coordinates	7122418.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C212 H298 Br2 N12 O40 Si6
Calculated formula	C120 H78 Br2 O24 Si6
Title of publication	Self-assembly of a Si-based cage by the formation of 24 equivalent covalent bonds.
Authors of publication	Holmes, Jessica L.; Abrahams, Brendan F.; Ahveninen, Anna; Boughton, Berin A.; Hudson, Timothy A.; Robson, Richard; Thinagaran, Dinaiz
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2018
Journal volume	54
Journal issue	84
Pages of publication	11877 - 11880
a	27.9568 ± 0.0006 Å
b	27.9568 ± 0.0006 Å
c	27.9568 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	21850.6 ± 0.8 Å³
Cell temperature	130 ± 1 K
Ambient diffraction temperature	130 ± 1 K
Number of distinct elements	6
Space group number	216
Hermann-Mauguin space group symbol	F -4 3 m
Hall space group symbol	F -4 2 3
Residual factor for all reflections	0.0849
Residual factor for significantly intense reflections	0.0773
Weighted residual factors for significantly intense reflections	0.2178
Weighted residual factors for all reflections included in the refinement	0.23
Goodness-of-fit parameter for all reflections included in the refinement	1.05
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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