Crystallography Open Database

Information card for entry 7000984

Preview

Coordinates	7000984.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	B12 Cl12 Cs2 O2 S
Calculated formula	B12 Cl12 Cs2 O2 S1.02
Title of publication	Synthesis and characterization of synthetically useful salts of the weakly-coordinating dianion [B12Cl12]2−
Authors of publication	Geis, Vanessa; Guttsche, Kristin; Knapp, Carsten; Scherer, Harald; Uzun, Rabiya
Journal of publication	Dalton Transactions
Year of publication	2009
Journal issue	15
Pages of publication	2687 - 2694
a	10.1432 ± 0.0014 Å
b	10.1432 ± 0.0014 Å
c	20.668 ± 0.004 Å
α	90°
β	90°
γ	120°
Cell volume	1841.5 ± 0.5 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	5
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.0409
Residual factor for significantly intense reflections	0.0346
Weighted residual factors for significantly intense reflections	0.0703
Weighted residual factors for all reflections included in the refinement	0.0721
Goodness-of-fit parameter for all reflections included in the refinement	1.253
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/7000984.html