Crystallography Open Database

Information card for entry 7209848

7209847 << 7209848 >> 7209849

Preview

Coordinates	7209848.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H53 As2 Na6 Ni4 O83.5 Ru3 W17
Calculated formula	C18 H18 As2 Na4 Ni4 O83.5 Ru3 W17
SMILES	[As]123=[O]4[W]56(O[W]789([O]%101[W]1%11(O[W]%12%10(=O)([O]5[Ru]5%10%13%14%15%16([O]6[W]64(=O)(=O)O[W]4%17%18(O[W]%19(=O)(=[O][Ni]%20%21([OH2])([O]%222[Ni]2%23%24([O]%25[Ru]%26%27%28%29%30%31([O]%32[Ni]%33%34([OH2])([O]%35[Ru]%36%37%38%39%40%41([O]%33[Ni]%33%42%22([O]=7)[O]%21[W]7%21%22(=O)O[W]%43%44%45(=O)O[W]%46%47%48(=O)[O]%49%50[As]%51(=[O]%52%53[W]%54(=O)(O[W]%25%52(=O)(O[W]%53(=O)(O%46)(O%54)O%43)O[W]%32%50(=O)(O[W]%35%49(O[W](=O)([O]%21%44%51)(O%22)(O%45)[O]%36%33)(=O)O%47)O%48)([O]%202)O7)[O]%24%34%42)[cH]2[cH]%37[cH]%38[cH]%39[cH]%40[cH]%412)[O]%23%26)[cH]2[cH]%31[cH]%30[cH]%29[cH]%28[cH]%272)[O]=%17)[O]=1)(O[W]([O]34%19)(O%12)(O%18)([O]56)=O)O%11)=O)[cH]1[cH]%10[cH]%13[cH]%14[cH]%15[cH]%161)O9)(=O)O8)=O)(=O)=O.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].O.O.O.O.O.O.O.O.O.O.O.O.O.O.O
Title of publication	Organo-Ru supported sandwich-type tungstoarsenates: synthesis, structure and catalytic properties
Authors of publication	Meng, Rui-Qi; Suo, Lin; Hou, Guang-Feng; Liang, Jing; Bi, Li-Hua; Li, Hao-Long; Wu, Li-Xin
Journal of publication	CrystEngComm
Year of publication	2013
Journal volume	15
Journal issue	29
Pages of publication	5867
a	17.222 ± 0.003 Å
b	21.526 ± 0.004 Å
c	26.316 ± 0.009 Å
α	90°
β	109.84 ± 0.03°
γ	90°
Cell volume	9177 ± 4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	8
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1115
Residual factor for significantly intense reflections	0.0653
Weighted residual factors for significantly intense reflections	0.1252
Weighted residual factors for all reflections included in the refinement	0.1425
Goodness-of-fit parameter for all reflections included in the refinement	1.05
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
290444 (current)	2024-03-12	cif/7: Fixing Z values and formulae	7209848.cif
180429	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/98.	7209848.cif
86865	2013-07-12	cif/ Adding structures of 7209848, 7209849 via cif-deposit CGI script.	7209848.cif