Crystallography Open Database

Information card for entry 4300195

Preview

Coordinates	4300195.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 As2 Na4 O93.88 Sn4 W18
Calculated formula	C24 As2 Na4 O93.88 Sn4 W18
SMILES	O=[W]1234O[W]567(=O)O[W]89%10(=O)O[W]%11%12(=O)(O2)O[W]2%13(=O)(O8)O[W]8%14%15(=O)O[W]%16(=O)(O3)(O%11)O[W]3%11(=O)(O[W](O1)([O]45[As]([O]9%122)[O]%14%163)(=O)(O6)[O]1[Sn]23([O]=%11)(c4ccccc4)O[Sn]41(c1ccccc1)([O]=7)[O]3[W]135(=O)O[W]679(=O)O[W]%11%12%14(=O)O[W]%16%17%18(=O)O[W]%19%20(=O)(O%11)O[W]%11%21(=O)(O[W]%22(=O)(O%12)(O7)O[W](=O)(O3)(O%11)([O]%21%22[As]([O]%14%17%19)[O]59[W](=O)(O%16)(O6)(O1)=[O]2)=[O]4)=[O][Sn]12(c3ccccc3)(O[Sn]([O]%131)([O]=%15)(c1ccccc1)([O]=%18)[O]%202)[O]=%10)O8.[Na+].O.[Na+].O.O.O.[Na+].O.O.[Na+].O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O
Title of publication	Organotin Derivatives of α-[XIIIW9O33]9- (X = As, Sb) Heteropolytungstates. Solution- and Solid-State Characterization of [{(C6H5Sn)2O}2H(α-AsW9O33)2]9- and [(C6H5Sn)3Na3(α-SbW9O33)2]6-
Authors of publication	Gerta Sazani; Michael H. Dickman; Michael T. Pope
Journal of publication	Inorganic Chemistry
Year of publication	2000
Journal volume	39
Pages of publication	939 - 943
a	15.272 ± 0.006 Å
b	15.303 ± 0.006 Å
c	16.76 ± 0.007 Å
α	93.59 ± 0.03°
β	106.187 ± 0.019°
γ	112.23 ± 0.03°
Cell volume	3419 ± 3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1157
Residual factor for significantly intense reflections	0.1062
Weighted residual factors for significantly intense reflections	0.306
Weighted residual factors for all reflections included in the refinement	0.3187
Goodness-of-fit parameter for all reflections included in the refinement	1.114
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
211332 (current)	2018-10-05	cif/ Fixing enumeration values for CIF data items _atom_sites_solution_* using cif_fix_values. Data item relocations and exclusion of CIF comment lines might have occurred due to the usage of cif_filter.	4300195.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4300195.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4300195.cif
19561	2011-05-20	cif/4 Updated CIFs and mysql data for Issue 5 of Inorg. Chem. 2000 files	4300195.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.	4300195.cif
966	2010-01-30	cif/ Adding _cod_database_code tags to all COD entries. Adding tag description to the cif_cod.dic dictionary so that COD entries can be validated.	4300195.cif
19	2008-01-26	Changing all end-of-line codes from DOS style to UNIX style in all COD CIF files, for more convenient processing: In the cod/cif/ directory: ff \*.cif \| xargs perl -i -pe 's/\r\n/\n/'	4300195.cif
14	2008-01-14	Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files.	4300195.cif
13	2008-01-13	Setting the svn:keywords property to "Author Date Revision URL Id" for all CIF files in the cod/cif directory.	4300195.cif
1	2007-11-30	Adding all .cif files from the COD, downloaded in a Cod.zip file on 2007.02.07 (and the same Cod.zip is downloadable today, on 2007.11.29)	4300195.cif