Crystallography Open Database

Information card for entry 1501758

Preview

Coordinates	1501758.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	B3 Ce Cl D12 Li
Calculated formula	B3 Ce Cl D12 Li
SMILES	[Ce]12345678([2H][B]([2H]1)([2H]2)[2H])([2H][B]([2H]3)([2H]4)[2H])([2H][B]([2H]5)([2H]6)[2H])[Cl]12[Ce]34569%10%11([2H][B]([2H]9)([2H]%10)[2H])([2H][B]([2H]3)([2H]4)[2H])([2H][B]([2H]5)([2H]6)[2H])[Cl]37[Ce]45679%10%12([2H][B]([2H]7)([2H]9)[2H])([2H][B]([2H]%10)([2H]4)[2H])([2H][B]([2H]5)([2H]6)[2H])[Cl]84[Ce]156789%10([2H][B]([2H]7)([2H]8)[2H])([2H][B]([2H]9)([2H]%10)[2H])([2H][B]([2H]5)([2H]6)[2H])[Cl]%11%12[Li]234.[Li+].[Li+].[Li+]
Title of publication	Synthesis, Crystal Structure, and Thermal Properties of the First Mixed-Metal and Anion-Substituted Rare Earth Borohydride LiCe(BH4)3Cl
Authors of publication	Frommen, C.; Sørby, M.H.; Ravindran, P.; Vajeeston, P.; Fjellvåg, H.; Hauback, B.C.
Journal of publication	The Journal of Physical Chemistry C
Year of publication	2011
Journal volume	115
Journal issue	47
Pages of publication	23591
a	11.665 ± 0.001 Å
b	11.665 ± 0.001 Å
c	11.665 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	1587.3 ± 0.2 Å³
Number of distinct elements	5
Space group number	217
Hermann-Mauguin space group symbol	I -4 3 m
Hall space group symbol	I -4 2 3
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	1501758.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1501758.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	1501758.cif
35107	2012-02-26	../uploads/cif-deposit/cod/cif Adding structures of 1501758 via cif-deposit CGI script.	1501758.cif