Crystallography Open Database

Information card for entry 4338292

Preview

Coordinates	4338292.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Co16 Ge4 H244 K1.5 Na30.5 O280 P4 W36
Calculated formula	Co16 Ge4 Na18 O203 P4 W36
SMILES	[Ge]123[O]45[W]678(O[W]9%10%11(O[W]%12%13(=[O][Co]%14%15%16%17[O]=P%18%19[O]%20%21[Co]%22%23%24%25[O]%16[Co]%16%26%27([O]=P%28%29[O]%30%23[Co]%23%31%32%21[O]%21[Co]%33%34%35(O%28)[O]=[W]%28%36%37(O[W]%38%39%40(O[W]%41%42([O]%43%44[Ge]%45%46[O]%34%28[W]%28(=[O]%33)(=O)(O%36)O[W]%33%34%36(=[O][Co]%47%48([O]=P%49%50[O]%51%23[Co]%23%52%53%20[O]%20%22P(=[O][Co]%22%54%55%56[O]=[W]%57%58%59(O[W]%60%61%62(O[W]%63%64([O]%65%66[Ge]%67%68[O]%54%57[W]%54(=[O]%22)(=O)(O%58)O[W]%22%57%58(=[O][Co]%69%70(O%18)([O]=[W]%18([O]%67%22%69)(=O)(O%57)O[W]%22(=[O][Co]([O]%23%55)(O%50)([O]=%60)([O]%61%68%22)[O]%53%70)(=O)(O%62)O[W]%66(O[W]%65(O%63)(O%54)(=O)O%58)(O%18)(=O)O%64)[O]%52%56)=O)(=O)O%59)=O)=O)(O[Co]%18%22([O]=[W]%23%50%52(O[W](=[O]%14)([O]1%12%15)(=O)(O%13)O[W]4(O6)(=O)(O[W]15(O[W](=[O]%18)([O]2%22%23)(=O)(O%50)O[W](=[O]%16)(=O)([O]3%10%26)(O%11)O1)(=O)O8)O%52)=O)([O]%17%24)[O]%25%27)O[Co]1234[O]5[Co]68%10(O%49)[O]=[W]%11%12%13(O[W]%14%15(O[W]%16%17([O]%18%22[Ge]%23%24[O]8%11[W]8(=[O]6)(=O)(O%12)O[W]6%11%12(=[O][Co]%25%26(O%29)([O]=[W]%27([O]%236%25)(=O)(O%11)O[W](=[O]1)(=O)([O]3%14%24)(O%15)O[W]%22(O[W]%18(O%16)(O8)(=O)O%12)(O%27)(=O)O%17)[O]%10[Co]%30%51%205[O]4%26)=O)(=O)O%13)(=[O]2)=O)=O)([O]=[W]1([O]%45%33%47)(=O)(O%34)O[W]2(=[O][Co]%21(O%19)(O%38)([O]%39%462)[O]%32%48)(=O)(O%40)O[W]%44(O[W]%43(O%41)(O%28)(=O)O%36)(O1)(=O)O%42)[O]%31%35)=O)(=O)O%37)=O)=O)[O]=9)(=O)O7)=O)=O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].O.O.O.O.O.O.O.O.O.O.O
Title of publication	Multinuclear Cobalt(II)-Containing Heteropolytungstates: Structure, Magnetism, and Electrochemistry.
Authors of publication	Ibrahim, Masooma; Haider, Ali; Lan, Yanhua; Bassil, Bassem S.; Carey, Akina M.; Liu, Rongji; Zhang, Guangjin; Keita, Bineta; Li, Wenhui; Kostakis, George E.; Powell, Annie K.; Kortz, Ulrich
Journal of publication	Inorganic chemistry
Year of publication	2014
Journal volume	53
Journal issue	10
Pages of publication	5179 - 5188
a	35.565 ± 0.0009 Å
b	35.565 ± 0.0009 Å
c	35.565 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	44985 ± 2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	8
Space group number	203
Hermann-Mauguin space group symbol	F d -3 :2
Hall space group symbol	-F 2uv 2vw 3
Residual factor for all reflections	0.1165
Residual factor for significantly intense reflections	0.0733
Weighted residual factors for significantly intense reflections	0.1881
Weighted residual factors for all reflections included in the refinement	0.2433
Goodness-of-fit parameter for all reflections included in the refinement	1.004
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
289031 (current)	2024-01-11	Fixing Z values and formulae	4338292.cif
176467	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4338292.cif
115680	2014-06-05	cif/ Updating files of 4338292, 4338293 Original log message: Adding full bibliography for 4338292--4338293.cif.	4338292.cif
112629	2014-05-03	cif/ Adding structures of 4338292 via cif-deposit CGI script.	4338292.cif