Crystallography Open Database

Information card for entry 4338293

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Coordinates	4338293.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Co16 H168 Na32 O242 P4 Si4 W36
Calculated formula	Co16 Na12 O200.75 P4 Si4 W36
SMILES	[W]1234(=[O][Co]5678[O]=[W]9%10(=O)(O1)O[W]1%11%12(=[O][Co]%13%14%15%16[O]=[W]%17%18(=O)(O1)[O]%12%16[Si]1([O]%12%16[W]%19%20(=O)(O3)O[W]3%21(=O)(=[O][Co]%22%23%24([O]=[W](=O)([O]13%22)(O%17)(O%21)O[W]%12(=O)(O%18)(O%19)O[W]%16(=O)(O9)(O%11)O%20)[O]%13[Co]13([O]9%11P%12(O5)=[O][Co]5%13%16%17[O]=[W]%18%19%20(=O)O[W]%21%22(=O)(=[O]5)O[W]5%25%26(=[O][Co]%27%28%29%30[O]=[W]%31%32(=O)(O5)[O]%26%30[Si]5([O]%26%30[W]%33%34(=O)(O%19)O[W]%19%35(=O)(=[O][Co]%36%37%38([O]=P%39(O[Co]%40%41%42%43[O]=[W]%44%45%46(=O)O[W]%47%48%49([O]%50%51[Si]%52%53[O]%54%55[W]%56%57%58(O[W](=[O]%40)(=O)(O%44)([O]%42%45%52)O[W]%51(O%48)(=O)(O[W]%40%50(O[W]%42%54(=[O][Co]%44%45%55([O]%48[Co]%50%51%52([O]1%39[Co]9([O]%27%37)([O]%16%38)([O]%17%29)[O]1%51P(=[O][Co]9%16%17%27[O]=[W]%29%37%38(=O)[O]%39%16[W]%16(=O)(=[O]9)(O[W]9%51%54(=[O][Co]%55%59%60(O%12)[O]=[W]%12%61(=O)(O9)O[W]9%62%63(=[O][Co]%64%65%66([O]=[W]%67(=O)(O9)([O]%63%66[Si]%39([O]9%39[W]%63(=O)(O%51)(O%16)O[W]9(=O)(O%67)(O%38)O[W]%39(=O)(O%12)(O%62)O%63)[O]%54%55%61)O%29)[O]%17[Co]%111([O]%27%59)([O]%60%65)[O]3%52P(=[O]%24)(O%44)O%64)=O)=O)O%37)(O[Co]13%48([O]%41%50)[O]9%53[W](=[O]1)(=O)(O%40)(O[W]9(O%47)(=[O]3)(=O)O%46)O%42)O%28)[O]%43%45)[O]=%56)(=O)O%58)(=O)O%49)O%57)=O)=O)O%14)[O]=[W](=O)([O]5%19%36)(O%31)(O%35)O[W]%26(=O)(O%32)(O%33)O[W]%30(=O)(O%21)(O%25)O%34)O%18)[O]%13%20%22)=O)([O]7%23)[O]8%15)O2)[O]46%10)=O)=O.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].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.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	24.851 ± 0.0006 Å
b	24.851 ± 0.0006 Å
c	60.8811 ± 0.0012 Å
α	90°
β	90°
γ	120°
Cell volume	32561.2 ± 1.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.1225
Residual factor for significantly intense reflections	0.0934
Weighted residual factors for significantly intense reflections	0.2554
Weighted residual factors for all reflections included in the refinement	0.286
Goodness-of-fit parameter for all reflections included in the refinement	1.003
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4338293.cif
115680	2014-06-05	cif/ Updating files of 4338292, 4338293 Original log message: Adding full bibliography for 4338292--4338293.cif.	4338293.cif
112630	2014-05-03	cif/ Adding structures of 4338293 via cif-deposit CGI script.	4338293.cif