Crystallography Open Database

Information card for entry 7219731

7219730 << 7219731 >> 7219732

Preview

Coordinates	7219731.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C5 As2 N15 Na2 Ni2 O91 W19
Calculated formula	C5 As2 N15 Na2 Ni2 O91 W19
SMILES	C(=[NH2+])(N)N.C(=[NH2+])(N)N.C(=[NH2+])(N)N.C(=[NH2+])(N)N.C(=[NH2+])(N)N.[O]=[W]1234O[W]567(=O)O[W]89(=O)(O1)O[W]1%10%11(O[W]%12(O6)(O[W]6(O5)(O[W]5(O3)(O[W]3(O2)(O[W](O8)(=O)(O1)([O]9%10[As]([O]453)[O]7%126)=O)(=O)=O)(=O)=O)(=O)=O)(=O)O[W]1(O%11)(=O)(=O)O[W]234(O[W]567(O[Ni](O[W]89(O[W]%10%11%12(O[Ni](O[W]%13%14(O[W]%15(O1)(O2)(=O)[O]1%13[As]2[O]8%11[W]8(O%12)(O9)(O[W]([O]362)(O7)(O4)(O[W]1(O%15)(O%14)(O8)=O)=O)=O)(=O)O%10)([OH2])([OH2])([OH2])[OH2])=O)(O5)=O)([OH2])([OH2])([OH2])[OH2])=O)=O)=O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.[Na+].[Na+]
Title of publication	Synthesis, crystal structure and catalytic activity of Guanidinium cation directed Nickel (II)-containing open Wells‒Dawson 19-tungstodiarsenate (III) [{Ni(H2O)4}2{Na(H2O)}As2W19O67(H2O)]9-
Authors of publication	Saini, Mukesh; Gupta, Rakesh; Singh, Surendra; Hussain, Firasat
Journal of publication	RSC Adv.
Year of publication	2015
a	13.1357 ± 0.0004 Å
b	16.6865 ± 0.0005 Å
c	26.3032 ± 0.0006 Å
α	84.426 ± 0.002°
β	84.995 ± 0.002°
γ	66.972 ± 0.003°
Cell volume	5273.2 ± 0.3 Å³
Cell temperature	183 ± 2 K
Ambient diffraction temperature	183 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.055
Residual factor for significantly intense reflections	0.045
Weighted residual factors for significantly intense reflections	0.1024
Weighted residual factors for all reflections included in the refinement	0.1069
Goodness-of-fit parameter for all reflections included in the refinement	1.056
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
180528 (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 7/21/97.	7219731.cif
133065	2015-03-05	cif/ Adding structures of 7219731 via cif-deposit CGI script.	7219731.cif