Crystallography Open Database

Information card for entry 4500907

Preview

Coordinates	4500907.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	B11 Li6 O22 Rb5
Calculated formula	B11 Li6 O22 Rb5
SMILES	B1([O-])OB([O-])O[B]2(O1)OB([O-])O[B]1(OB([O-])O[B]3(OB([O-])O[B]4(OB(OB([O-])O4)[O-])O3)O1)O2.[Li+].[Li+].[Li+].[Rb+].[Rb+].[Rb+].[Li+].[Li+].[Li+].[Rb+].[Rb+]
Title of publication	A New Lithium Rubidium Borate Li6Rb5B11O22with Isolated B11O22Building Blocks
Authors of publication	Yang, Yun; Pan, Shilie; Han, Jian; Hou, Xueling; Zhou, Zhongxiang; Zhao, Wenwu; Chen, Zhaohui; Zhang, Min
Journal of publication	Crystal Growth & Design
Year of publication	2011
Journal volume	11
Journal issue	9
Pages of publication	3912
a	11.6252 ± 0.0005 Å
b	7.101 ± 0.0003 Å
c	13.7442 ± 0.0005 Å
α	90°
β	106.871 ± 0.003°
γ	90°
Cell volume	1085.76 ± 0.08 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	4
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.0371
Residual factor for significantly intense reflections	0.0326
Weighted residual factors for significantly intense reflections	0.0624
Weighted residual factors for all reflections included in the refinement	0.0642
Goodness-of-fit parameter for all reflections included in the refinement	0.951
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179540 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/09.	4500907.cif
130086	2015-01-23	cod/ (robertas@burundukas) The 'cif_fix_values' program was applied to CIFs that have generated the validation messages containing tag '_exptl_crystal_density_meas'. 16946 CIFs had a values that were perceived as 'not measured' and they were changed to '?'. The total of 17089 CIFs was changed. Those that were not corrected by 'cif_fix_values' were reformatted by the parser (e.g. a doi tag was moved to another place). The processing command was: mysql -u cod_reader -h www.crystallography.net cod -e \ 'select distinct codid from validation \ where message like \ "%tag%_exptl_crystal_density_meas'\''%"' -NB \ \| xargs -i sh -c 'cif_fix_values {} \ \| cif_filter --add-cif-header {} \ \| sponge {}'	4500907.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4500907.cif
34678	2012-02-25	../uploads/cif-deposit/cod/cif Adding structures of 4500907 via cif-deposit CGI script.	4500907.cif