Crystallography Open Database

Information card for entry 7201102

7201101 << 7201102 >> 7201103

Preview

Coordinates	7201102.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H56 As2 K1.5 Na4.5 O84.5 Ru3 W17 Zn4
Calculated formula	C18 H18 As2 K1.5 Na4.5 O85.5 Ru3 W17 Zn4
SMILES	[W]1234(O[W]567(O[W]89%10(=O)O[W]%11%12(O5)(=O)[O]79=[As]57[O]9%13[W]%14%15(O[W]9(O6)(=O)(O1)O[W]1%13(O%14)(=O)O[W]69(O2)(O[W](O3)([O]456)(=O)([O]2[Ru]3456%13%14([O]%11[Zn]%11%16%17([O]%187[Zn]7%19%20([O]%15[Ru]%15%21%22%23%24([O]%167)([O]%10%17)[cH]7[cH]%23[cH]%22[cH]%21[cH]%15[cH]%247)[O]1[Zn]17%10([O]9[Zn]92%18([O]3%11)[O]%201=[As]12[O]3%11[W]%15%16(=[O]%10)(=O)O[W]%103(=[O]9)(=O)O[W]39([O]1[W]1%17(O[W]%18%20(=[O]%19)(=O)O[W]%19(=[O]7)(=O)(O%15)O[W]7([O]%17[Ru]%15%17%21%22%23([O]31)([O]9[W]%11(O%10)(=O)(O%16)O7)[cH]1[cH]%15[cH]%17[cH]%21[cH]%22[cH]%231)([O]2%18%19)(O%20)=O)(=O)=O)(=O)=O)[OH2])[OH2])[cH]1[cH]4[cH]5[cH]6[cH]%13[cH]%141)O%12)=O)(O8)=O)=O)=O.[K+].[K+].[Na+].[Na+].[Na+].[Na+].[Na+].O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O
Title of publication	An organo-ruthenium grafted zinc-substituted tungstoarsenate
Authors of publication	Bi, Li-Hua; Hou, Guang-Feng; Wu, Li-Xin; Kortz, Ulrich
Journal of publication	CrystEngComm
Year of publication	2009
Journal volume	11
Journal issue	8
Pages of publication	1532
a	17.345 ± 0.004 Å
b	21.607 ± 0.004 Å
c	26.322 ± 0.005 Å
α	90°
β	110.05 ± 0.02°
γ	90°
Cell volume	9267 ± 3 Å³
Cell temperature	291 ± 2 K
Ambient diffraction temperature	291 ± 2 K
Number of distinct elements	9
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	0.0878
Residual factor for significantly intense reflections	0.0548
Weighted residual factors for significantly intense reflections	0.1195
Weighted residual factors for all reflections included in the refinement	0.1346
Goodness-of-fit parameter for all reflections included in the refinement	0.967
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.	7201102.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7201102.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7201102.cif
1167	2010-05-13	cif/ Adding data from the rest of 2009 RSC journals, Inorg-Chem-2008 and Chem-Comm-2010_18-19.	7201102.cif