Crystallography Open Database

Information card for entry 1556838

Preview

Coordinates	1556838.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C0.58 Na0.02 O4.53 Si2.27
Calculated formula	C0.614667 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	23.834 ± 0.005 Å
b	13.76 ± 0.005 Å
c	23.833 ± 0.003 Å
α	90°
β	109.47°
γ	90 ± 0.03°
Cell volume	7369 ± 3 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 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	0.1783
Residual factor for significantly intense reflections	0.0879
Weighted residual factors for significantly intense reflections	0.2436
Weighted residual factors for all reflections included in the refinement	0.2784
Goodness-of-fit parameter for all reflections included in the refinement	0.915
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/1556838.html