Crystallography Open Database

Information card for entry 7015837

Preview

Coordinates	7015837.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H76 Dy3 Fe3 K4.5 N6 Na7.5 O137 Si3 W30
Calculated formula	C6 H24 Dy3 Fe3 K4.5 N6 Na4 O136.5 Si3 W30
SMILES	[W]1234(=O)[O]5[Fe]6789[O]%10[W]%11%12(O[W]%13%14%15(O[W]%16%17(=O)(O[W]%18%19%20(O[W]%21%22%23(O[W]%24%25(=O)(=[O]6)O[W]6(=O)(=[O]7)(O%13)[O]%15([W](=O)(O%18)(O%21)(O%14)O6)[Si]([O]%17%19[W](O2)(O%16)(=[O][Dy]26([OH2])([O]=%22)([OH2])([O]=4)[O]%25[Fe]47%13%14[O]2[W]2%15%16(O[W]%17%18%19(O[W]%21%22(=O)(O[W]%25%26%27(O[W]%28%29%30(O[W]%31%32(=O)(=[O]4)O[W]4(=O)(=[O]%13)(O%17)[O]%19([W](=O)(O%25)(O%28)(O%18)O4)[Si]4([O]%22%26[W]%13(O[W](=O)([O]67)(O2)([O]%14%164)=[O][Dy]24([O]6[W]7%14%16(O[W]%17%18%19(O[W]%22%25(=O)(O[W]%26%28%33(O[W]%34%35%36(O[W]%37%38%39(=O)=[O][Fe]%40%416([O]2[W]26(=O)(O7)O[W](O%22)([O]%25%28[Si]([O]%36%38)([O]%16%412)[O]2%19[W](=O)(O%26)(O%34)(O%18)O[W]2(=O)(O%37)(=[O]%40)O%17)(=[O][Dy]5%10([OH2])([O]=%35)([OH2])([O]=6)[O]9%39)(=O)O%33)[O]%324)=O)=O)O%14)=O)=O)([OH2])([O]=%29)([O]=%13)[OH2])(O%21)(=O)O%27)[O]%30%31)=O)=O)O%15)=O)=O)(=O)O%20)([O]%23%24)[O]38%12)=O)=O)O%11)=O)(O1)=O.C(CN)N.C(CN)N.C(CN)N.[K+].[Na+].[K+].[Na+].[K+].[Na+].[K+].[Na+].[K+].O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O
Title of publication	Hexameric polyoxometalates decorated by six 3d-4f heterometallic clusters.
Authors of publication	Zhang, Zhi-Ming; Li, Yang-Guang; Yao, Shuang; Wang, En-Bo
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2011
Journal volume	40
Journal issue	24
Pages of publication	6475 - 6479
a	29.171 ± 0.004 Å
b	29.171 ± 0.004 Å
c	33.538 ± 0.007 Å
α	90°
β	90°
γ	120°
Cell volume	24716 ± 7 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	10
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.1152
Residual factor for significantly intense reflections	0.0644
Weighted residual factors for significantly intense reflections	0.129
Weighted residual factors for all reflections included in the refinement	0.1464
Goodness-of-fit parameter for all reflections included in the refinement	1.045
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
290444 (current)	2024-03-12	cif/7: Fixing Z values and formulae	7015837.cif
179862	2016-03-25	cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/58.	7015837.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7015837.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7015837.cif
21359	2011-06-22	../uploads/cif-deposit/cod/cif Adding structures of 7015837, 7015838 via cif-deposit CGI script.	7015837.cif