Crystallography Open Database

Information card for entry 7123053

Preview

Coordinates	7123053.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H30 B6 Li O3
Calculated formula	C12 H30 B6 Li O3
Title of publication	Molten metal closo-borate solvates
Authors of publication	Møller, Kasper T.; Paskevicius, Mark; Andreasen, Jacob Ginnerup; Lee, Junqiao; Chen-Tan, Nigel; Overgaard, Jacob; Payandeh, Seyedhosein; Silvester, Debbie S.; Buckley, Craig; Jensen, Torben Rene R.
Journal of publication	Chemical Communications
Year of publication	2019
a	14.7037 ± 0.0004 Å
b	14.1409 ± 0.0003 Å
c	18.2503 ± 0.0004 Å
α	90°
β	111.27 ± 0.003°
γ	90°
Cell volume	3536.18 ± 0.16 Å³
Cell temperature	100.02 ± 0.16 K
Ambient diffraction temperature	100.02 ± 0.16 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0668
Residual factor for significantly intense reflections	0.0555
Weighted residual factors for significantly intense reflections	0.1434
Weighted residual factors for all reflections included in the refinement	0.1528
Goodness-of-fit parameter for all reflections included in the refinement	1.032
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
288248 (current)	2023-12-12	cif/ Removed the misspelt '_symmetry_space_group_name_h-m_alt' data name since the same space group information is already provided using proper data names.	7123053.cif
213839	2019-02-26	cif/ Adding structures of 7123053, 7123054 via cif-deposit CGI script.	7123053.cif