Crystallography Open Database

Information card for entry 4341840

Preview

Coordinates	4341840.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H90.8 Na10 O76.4 Ru2 Ta12
Calculated formula	C12 H12 Na10 O76.4 Ru2 Ta12
Title of publication	Coordination-Induced Condensation of [Ta6O19](8-): Synthesis and Structure of [{(C6H6)Ru}2Ta6O19](4-) and [{(C6H6)RuTa6O18}2(μ-O)](10-)
Authors of publication	Abramov, P. A.; Sokolov, M. N.; Floquet, S.; Haouas, M.; Taulelle, F.; Cadot, E.; Peresypkina, E. V.; Virovets, A. V.; Vicent, C.; Kompankov, N. B.; Zhdanov, A. A.; Shuvaeva, O. V.; Fedin, V. P.
Journal of publication	Inorganic chemistry
Year of publication	2014
Pages of publication	141203085652001
a	19.8487 ± 0.0009 Å
b	17.7022 ± 0.0009 Å
c	27.7928 ± 0.0013 Å
α	90°
β	90°
γ	90°
Cell volume	9765.4 ± 0.8 Å³
Cell temperature	100 ± 0.2 K
Ambient diffraction temperature	100 ± 0.2 K
Number of distinct elements	6
Space group number	64
Hermann-Mauguin space group symbol	C m c a
Hall space group symbol	-C 2ac 2
Residual factor for all reflections	0.0855
Residual factor for significantly intense reflections	0.0593
Weighted residual factors for significantly intense reflections	0.1274
Weighted residual factors for all reflections included in the refinement	0.136
Goodness-of-fit parameter for all reflections included in the refinement	1.164
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4341840.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 {}'	4341840.cif
128246	2014-12-06	cif/ Adding structures of 4341840, 4341841 via cif-deposit CGI script.	4341840.cif