Crystallography Open Database

Information card for entry 7033270

Preview

Coordinates	7033270.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H70 K4 Nb6 O39 Rh2
Calculated formula	C20 H30 K4 Nb6 O39 Rh2
SMILES	[K+].O.[K+].O.O=[Nb]1234[O]5[Rh]6789%10([c]%11([c]7([c]8([c]9([c]6%11C)C)C)C)C)[O]1[Nb]167([O]89%113[Nb]35(O[Nb]58(O2)(=O)[O]2[Nb]9(=O)([O]8[Nb]%11(=O)([O]5[Rh]59%11%1228[c]2([c]5([c]9([c]%12([c]%112C)C)C)C)C)(O7)O3)(O6)O4)(=O)[O]1%10)=O.O.O.O.O.O.O.O.O.[K+].O.[K+].O.O.O.O.O.O.O.O.O
Title of publication	Grafting {Cp*Rh}(2+) on the surface of Nb and Ta Lindqvist-type POM.
Authors of publication	Abramov, P. A.; Sokolov, M. N.; Virovets, A. V.; Floquet, S.; Haouas, M.; Taulelle, F.; Cadot, E.; Vicent, C.; Fedin, V. P.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2015
Journal volume	44
Journal issue	5
Pages of publication	2234 - 2239
a	14.8711 ± 0.0017 Å
b	9.5972 ± 0.0011 Å
c	19.615 ± 0.002 Å
α	90°
β	91.761 ± 0.003°
γ	90°
Cell volume	2798.1 ± 0.5 Å³
Cell temperature	150 ± 0.2 K
Ambient diffraction temperature	150 ± 0.2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0994
Residual factor for significantly intense reflections	0.0659
Weighted residual factors for significantly intense reflections	0.1302
Weighted residual factors for all reflections included in the refinement	0.1425
Goodness-of-fit parameter for all reflections included in the refinement	1.097
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
180038 (current)	2016-03-25	cif/7/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/03/32.	7033270.cif
133362	2015-03-06	cif/ Updating files of 7033270, 7033271 Original log message: Adding full bibliography for 7033270--7033271.cif.	7033270.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 {}'	7033270.cif
128035	2014-12-02	cif/ Adding structures of 7033270, 7033271 via cif-deposit CGI script.	7033270.cif