Crystallography Open Database

Information card for entry 1556836

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Coordinates	1556836.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C0.58 Na0.02 O4.53 Si2.27
Calculated formula	C0.766667 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	23.7844 ± 0.0003 Å
b	13.732 ± 0.005 Å
c	23.784 ± 0.003 Å
α	90°
β	109.47°
γ	90 ± 0.03°
Cell volume	7324 ± 3 Å³
Cell temperature	250 ± 2 K
Ambient diffraction temperature	250 ± 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	0.2156
Residual factor for significantly intense reflections	0.1014
Weighted residual factors for significantly intense reflections	0.2597
Weighted residual factors for all reflections included in the refinement	0.2801
Goodness-of-fit parameter for all reflections included in the refinement	1.143
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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