Crystallography Open Database

Information card for entry 4345355

Preview

Coordinates	4345355.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	As4 Co4 Na16 O169 W30
Calculated formula	As4 Co4 Na16 O169 W30
SMILES	O=[W]1234O[W]567(=O)O[W]89(O1)(=O)[O]1[As]%10%11=[O]%12[W]%13%14%15(=O)O[W]%16(O7)([O]5%10)(=O)O[W]5(O2)(=O)(O%15)[O]4%11[W]2(O3)(O5)(=O)O[W]34(O%13)(=O)O[W]1(O2)(=O)(O9)O[W]125(=O)O[W]7%12(O3)(=O)[O]3[As]9%10=[O]%11[W]%12%13(O6)(=O)O[W](O8)(O2)([O]5%10)(=O)[O]2[Co]568([OH2])[O]%12[Co]%10%12%15%17[O]=[W]%11(O%16)(O%13)(=O)O[W]3(O%14)(O4)(=O)=[O][Co]34([O]=7)([OH2])[O]9%10[Co]792([O]=1)[O]4[W]124(=O)O[W]%10%11%13(=O)O[W]%14%16%18(=O)O[W]%19%20(=O)(O%10)O[W]%10%21%22(=O)O[W]%23%24(O%16)(=O)[O]%16%18[W]%18(O%14)(=O)(O%24)O[W]%14%24%25(=O)O[W]%26(O%18)(O%11)(=O)[O]%13[As]%16([O]%19%22)=[O]%24[W](O%23)(O%21)(O%25)(=O)O[W]%11%13(=O)(=[O]5)O[W]5(O%14)(=O)(=[O]6)[O]%13[As](=[O]4[W](O%26)(O2)(=O)(=[O]7)O5)([O]8%179)[O]2[W](O%10)(O%11)(=O)(=[O]%12)O[W]2(O%20)(=O)([O]3%15)O1.[Na+].O.[Na+].O.O.[Na+].O.O.[Na+].O.O.O.O.O.O.O.O.[Na+].O.[Na+].O.O.[Na+].O.O.[Na+].O.[Na+].O.O.[Na+].O.O.[Na+].O.O.O.O.[Na+].O.O.O.[Na+].O.[Na+].O.O.[Na+].O.O.O.[Na+].O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O
Title of publication	Synthesis, Structure, and Magnetic Electrochemical Properties of a Family of Tungstoarsenates Containing Just Co(II) Centers or Both Co(II) and Fe(III) Centers.
Authors of publication	Ayingone Mezui, Charyle S.; de Oliveira, Pedro; Teillout, Anne-Lucie; Marrot, Jérôme; Berthet, Patrick; Lebrini, Mounim; Mbomekallé, Israël M
Journal of publication	Inorganic chemistry
Year of publication	2017
Journal volume	56
Journal issue	4
Pages of publication	1999 - 2012
a	13.6137 ± 0.0007 Å
b	13.8836 ± 0.0008 Å
c	22.9276 ± 0.0013 Å
α	89.906 ± 0.003°
β	78.356 ± 0.002°
γ	61.451 ± 0.002°
Cell volume	3705.5 ± 0.4 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0477
Residual factor for significantly intense reflections	0.0432
Weighted residual factors for significantly intense reflections	0.1358
Weighted residual factors for all reflections included in the refinement	0.1402
Goodness-of-fit parameter for all reflections included in the refinement	1.053
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
192923 (current)	2017-03-04	cif/ Adding structures of 4345355 via cif-deposit CGI script.	4345355.cif