Crystallography Open Database

Information card for entry 7245442

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Coordinates	7245442.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H54 Cl4 F6 N6 O13 Si Zn
Calculated formula	C60 H54 Cl4 F6 N6 O13 Si Zn
Title of publication	Insight into systematic formation of hexafluorosilicate during crystallization via self-assembly in a glass vessel
Authors of publication	Kim, Dongwon; Han, Jihun; Jung, Ok-Sang; Lee, Young-A.
Journal of publication	RSC Advances
Year of publication	2022
Journal volume	12
Journal issue	39
Pages of publication	25118 - 25122
a	20.7131 ± 0.0015 Å
b	20.7131 ± 0.0015 Å
c	15.8554 ± 0.0012 Å
α	90°
β	90°
γ	90°
Cell volume	6802.5 ± 0.9 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	8
Space group number	85
Hermann-Mauguin space group symbol	P 4/n :2
Hall space group symbol	-P 4a
Residual factor for all reflections	0.0963
Residual factor for significantly intense reflections	0.0633
Weighted residual factors for significantly intense reflections	0.1956
Weighted residual factors for all reflections included in the refinement	0.2327
Goodness-of-fit parameter for all reflections included in the refinement	1.037
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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