Crystallography Open Database

Information card for entry 7210183

Preview

Coordinates	7210183.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H27 N6 O46 P W12
Calculated formula	C8 H12 N6 O40 P W12
SMILES	P123=[O]45[W]678(O[W]9%10%11(O[W]%12%13%14(=O)O[W]%15%16%17(O[W]4(O%12)(=O)(O[W]45(=O)(O[W]5%12(=O)(O%15)[O]1%17[W]1(O[W](O[W]%15%17(O[W]%18(=O)(O[W](=O)(O4)(O%15)([O]3%17%18)O%12)(O6)O9)(=O)O1)(=O)([O]2%10%13)(O%11)O%14)(=O)(O%16)O5)O7)O8)=O)=O)=O.n1(ncnc1)CCCCn1ncnc1
Title of publication	A series of 3D PW12O403−-based AgI‒bis(triazole) complexes containing different multinuclear loops: syntheses, structures and properties
Authors of publication	Wang, Xiuli; Zhao, Dan; Tian, Aixiang; Ying, Jun
Journal of publication	CrystEngComm
Year of publication	2013
Journal volume	15
Journal issue	22
Pages of publication	4516
a	20.252 ± 0.002 Å
b	13.5088 ± 0.0014 Å
c	38.953 ± 0.004 Å
α	90°
β	105.07°
γ	90°
Cell volume	10290.3 ± 1.8 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0658
Residual factor for significantly intense reflections	0.0398
Weighted residual factors for significantly intense reflections	0.0711
Weighted residual factors for all reflections included in the refinement	0.0731
Goodness-of-fit parameter for all reflections included in the refinement	1.008
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
180432 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/01.	7210183.cif
87052	2013-07-13	cif/ Adding structures of 7210181, 7210182, 7210183, 7210184 via cif-deposit CGI script.	7210183.cif