Crystallography Open Database

Information card for entry 1556837

Preview

Coordinates	1556837.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C0.26 Na0.01 O2 Si
Calculated formula	C0.487059 Na0.00588235 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	19.4199 ± 0.0015 Å
b	19.4199 ± 0.0015 Å
c	19.4199 ± 0.0015 Å
α	90°
β	90°
γ	90°
Cell volume	7323.9 ± 1 Å³
Cell temperature	250 ± 2 K
Ambient diffraction temperature	250 ± 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	0.1723
Residual factor for significantly intense reflections	0.1675
Weighted residual factors for significantly intense reflections	0.3247
Weighted residual factors for all reflections included in the refinement	0.3265
Goodness-of-fit parameter for all reflections included in the refinement	1.002
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1556837.html