Crystallography Open Database

Information card for entry 1556842

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Coordinates	1556842.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C0.58 Na0.02 O4.53 Si2.27
Calculated formula	C0.725333 O4.53333 Si2.26667
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	23.7054 ± 0.0002 Å
b	13.6861 ± 0.0011 Å
c	23.7051 ± 0.0002 Å
α	90°
β	109.47°
γ	90 ± 0.03°
Cell volume	7251 ± 0.6 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	A 1 2/n 1
Hall space group symbol	-A 2yab
Residual factor for all reflections	0.1387
Residual factor for significantly intense reflections	0.0706
Weighted residual factors for significantly intense reflections	0.1768
Weighted residual factors for all reflections included in the refinement	0.1991
Goodness-of-fit parameter for all reflections included in the refinement	0.896
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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