Crystallography Open Database

Information card for entry 7133996

Preview

Coordinates	7133996.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H14 Al F24 Li O6
Calculated formula	C16 H14 Al F24 Li O6
Title of publication	Borates <i>vs</i>. aluminates: comparing the anion for lithium-ion batteries.
Authors of publication	Ould, Darren M. C.; Penrod, Megan E.; McConnell, Jessica B.; Zabara, Mohammed A.; Berge, Astrid H.; O'Keefe, Christopher A; Bond, Andrew D.; Menkin, Svetlana; Grey, Clare P.; Wright, Dominic S.
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2024
Journal volume	61
Journal issue	1
Pages of publication	129 - 132
a	10.1045 ± 0.0006 Å
b	10.3479 ± 0.0006 Å
c	15.5279 ± 0.0009 Å
α	78.701 ± 0.003°
β	73.361 ± 0.003°
γ	79.766 ± 0.003°
Cell volume	1512.65 ± 0.16 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1003
Residual factor for significantly intense reflections	0.0819
Weighted residual factors for significantly intense reflections	0.2282
Weighted residual factors for all reflections included in the refinement	0.2494
Goodness-of-fit parameter for all reflections included in the refinement	1.079
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
297998 (current)	2025-03-04	cif/ Updating files of 7133996, 7133997, 7133998 Original log message: Adding full bibliography for 7133996--7133998.cif.	7133996.cif
296068	2024-11-23	cif/ Adding structures of 7133996, 7133997, 7133998 via cif-deposit CGI script.	7133996.cif