Crystallography Open Database

Information card for entry 1556843

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Coordinates	1556843.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C0.26 Na0.01 O2 Si
Calculated formula	C0.527059 Na0.0105882 O2 Si
Title of publication	The hydrocarbon-bearing clathrasil chibaite and its host-guest structure at low temperature.
Authors of publication	Scheidl, K. S.; Effenberger, H. S.; Yagi, T.; Momma, K.; Miletich, Ronald
Journal of publication	IUCrJ
Year of publication	2018
Journal volume	5
Journal issue	Pt 5
Pages of publication	595 - 607
a	19.3944 ± 0.0015 Å
b	19.3944 ± 0.0015 Å
c	19.3944 ± 0.0015 Å
α	90°
β	90°
γ	90°
Cell volume	7295.1 ± 1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	227
Hermann-Mauguin space group symbol	F d -3 m :2
Hall space group symbol	-F 4vw 2vw 3
Residual factor for all reflections	0.2351
Residual factor for significantly intense reflections	0.2308
Weighted residual factors for significantly intense reflections	0.4282
Weighted residual factors for all reflections included in the refinement	0.4303
Goodness-of-fit parameter for all reflections included in the refinement	1.192
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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