Crystallography Open Database

Information card for entry 4312218

Preview

Coordinates	4312218.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Cs5 H26 K3 Na4 O82 Pd2 Si2 W19
Calculated formula	Cs5 K2.5 Na O85 Pd2 Si2 W19
SMILES	[W]1234([O]56[W]78(O1)(O[W]15(O2)(O[W]259([O]%10[W]%11(O8)(O[W]8%12([O]%13[W]%14(O4)(O[W]4%15([O]([W](O1)(O4)(O5)(O[W]1(O%15)(O[W]45%15([O]%16[W]%17(O5)(O[W]5%18%19([O]%20[W]%21(O[W]%22%23%24([O]%25[W](O4)(O%22)(O[W]4%22([O]%26([W](O%23)(O%21)(O4)(O[W]%26(O%18)(O%17)(O%22)=O)=O)[Si]%16%20%25)(O%15)=O)(=[O][Pd]([O]=%14)([O]=%12)[O]=%24)=O)=O)(O5)(=[O][Pd]([O]=%11)([O]=9)[O]=%19)=O)=O)(O1)=O)=O)(=O)=O)=O)[Si]6%10%13)(O3)=O)(O8)=O)(O7)=O)(O2)=O)=O)=O)=O)=O.[Cs+].[Cs+].[Cs+].[Cs+].[Cs+].[K+].[K+].[K+].[Na+].O.O.O.O.O.O.O.O.O.O.O.O.O.O.O
Title of publication	Palladium(II)-Substituted Tungstosilicate [Cs2K(H2O)7Pd2WO(H2O)(A-α-SiW9O34)2]9-
Authors of publication	Li-Hua Bi; Ulrich Kortz; Bineta Keita; Louis Nadjo; Horst Borrmann
Journal of publication	Inorganic Chemistry
Year of publication	2004
Journal volume	43
Pages of publication	8367 - 8372
a	16.6549 ± 0.0002 Å
b	19.729 ± 0.0002 Å
c	25.995 ± 0.0005 Å
α	90°
β	95.4596 ± 0.0009°
γ	90°
Cell volume	8502.8 ± 0.2 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	8
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0623
Residual factor for significantly intense reflections	0.0518
Weighted residual factors for significantly intense reflections	0.1195
Weighted residual factors for all reflections included in the refinement	0.1261
Goodness-of-fit parameter for all reflections included in the refinement	1.101
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
179161 (current)	2016-03-23	cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/22.	4312218.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4312218.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4312218.cif
5312	2011-01-03	cif/ Adding files, updated with the 'cif_fix_enum' program and the cif_core.dic dictionary. The enumerator values were fixed, mostly incorrect case, but also some values that had extra underscores, dashes or spaces. Unfortunately, 22 had non-ASCII characters with the 8-th bit set, and these got incorrectly interpreted as latin1 characters and converted to their UTF8 equivalents by Perl. To fix the structures, however, they need to be redeposited from the original files with the new CIFParser/cif_filter version.	4312218.cif
3723	2010-11-17	../uploads/cif-deposit/cod/cif Adding structures of 4312218 via cif-deposit CGI script.	4312218.cif