Crystallography Open Database

Information card for entry 4308283

Preview

Coordinates	4308283.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H26 Ag6 Mo24 N24 O81 P2
Calculated formula	C12 H24 Ag6 Mo24 N24 O81 P2
SMILES	c1([n]2[Ag][n]3c[nH]c([n]3[Ag][n]3c[nH]c([n]3[Ag][n]3c[nH]c([n]3[Ag][n]3c[nH]c([n]3[Ag][n]3c[nH]c([n]3[Ag][n]2c[nH]1)N)N)N)N)N)N.O1[Mo]234(=O)O[Mo]567([O]89=P%10%11[O]%122[Mo]2%131(=O)O[Mo]1%12(O4)(=O)O[Mo]4%12%14(O[Mo]%15(=O)(O3)(O6)O[Mo]3(=O)(O[Mo]69(=O)(O[Mo]8(O5)(O[Mo]58(O[Mo]9(=O)(O[Mo](O4)(=O)([O]%1059)(O1)O8)(O3)O6)(=O)O2)(=O)O%13)O7)([O]%11%12%15)O%14)=O)=O.O.O1[Mo]234(=O)O[Mo]567(=O)[O]82=P29[O]%10%11[Mo]%12%13%14(O[Mo]18(=O)(O[Mo]18(O[Mo]%15%16%17(=O)O[Mo]%18%11(=O)(O[Mo]%10(O[Mo]%10%11(O[Mo]%19(=O)(O[Mo](=O)([O]2%10%19)(O[Mo](O1)(=O)([O]98%15)(O5)O%17)(O6)O%11)(O%16)O%18)(=O)O3)(=O)(O%12)O4)O%13)(=O)O%14)O7)=O
Title of publication	Construction of Ag/1,2,4-Triazole/Polyoxometalates Hybrid Family Varying from Diverse Supramolecular Assemblies to 3-D Rod-Packing Framework
Authors of publication	Quan-Guo Zhai; Xiao-Yuan Wu; Shu-Mei Chen; Zhen-Guo Zhao; Can-Zhong Lu
Journal of publication	Inorganic Chemistry
Year of publication	2007
Journal volume	46
Pages of publication	5046 - 5058
a	17.6706 ± 0.0006 Å
b	17.6706 ± 0.0006 Å
c	23.5201 ± 0.0011 Å
α	90°
β	90°
γ	120°
Cell volume	6360.2 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.0446
Residual factor for significantly intense reflections	0.0402
Weighted residual factors for significantly intense reflections	0.0881
Weighted residual factors for all reflections included in the refinement	0.0907
Goodness-of-fit parameter for all reflections included in the refinement	1.106
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4308283.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4308283.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4308283.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.	4308283.cif
1194	2010-06-06	cif/4/ Adding data from Inorg-Chem-2007_01-13/ processing directory.	4308283.cif