Crystallography Open Database

Information card for entry 4320643

4320642 << 4320643 >> 4320644

Preview

Coordinates	4320643.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Co3 Fe2 H0 Na3 O130 P4 W28
Calculated formula	Co3 Fe2 Na3 O130 P4 W28
SMILES	O=[W]1234O[W]567(=O)O[W]8(=O)(O1)O[W]19%10(=O)O[W]%11%12(O6)(=O)O[W]6%13(O5)(=O)O[W]5%14(O2)(=O)[O]6P(=[O]9%11)([O]47)[O]2[W]4(O8)(O1)(=O)O[W]2(O3)(=O)(O[W]12(=O)O[W]36(O5)(=O)O[W]57(O%13)(O[W]89(O%12)(=O)O[W]%11%12(O%10)(=O)O[W]%10(O4)(=O)([O]=P([O]8%11)([O]35)O[Fe]34([O]=%12)([O]=%10)[O]5[Co]([O]=7)([O]=9)([O]7[Fe]8([O]=2)([O]=6)[O]=[W]269(=[O][Co]%10%11([OH2])O[Co]%12%13([OH2])([O]=[W]%15%16(O3)(O[W]3%175(O[W]7(O2)(=O)([O]6P(=[O]48)([O]%153)[O]%10%12)O[W]23(O[W]45(O9)(O[W]6(=[O]%11)(=O)O[W]78(=[O]%13)(O[W]9%10(O%16)(O[W]%11(O%17)(O2)(=O)[O]9P(=[O]7)(O4)[O]2[W]4(O3)(O%11)(O[W](O6)(O5)(=O)O[W]2(O8)(O%10)(=O)O4)=O)=O)=O)=O)=O)=O)=O)[OH2])=O)[OH2])O1)=O)O%14.[Na+].[Na+].[Na+].O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O
Title of publication	Asymmetric Sandwich-Type Polyoxoanions. Synthesis, Characterization, and X-ray Crystal Structures of Diferric Complexes [TMIIFeIII2(P2W15O56)(P2TMII2W13O52)]16-, TM = Cu or Co
Authors of publication	Travis M. Anderson; Kenneth I. Hardcastle; Nelya Okun; Craig L. Hill
Journal of publication	Inorganic Chemistry
Year of publication	2001
Journal volume	40
Pages of publication	6418 - 6425
a	14.8737 ± 0.0018 Å
b	22.936 ± 0.003 Å
c	24.337 ± 0.003 Å
α	71.566 ± 0.002°
β	72.499 ± 0.002°
γ	89.342 ± 0.002°
Cell volume	7479.7 ± 1.6 Å³
Cell temperature	373 ± 2 K
Ambient diffraction temperature	373 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.2487
Residual factor for significantly intense reflections	0.1534
Weighted residual factors for significantly intense reflections	0.2686
Weighted residual factors for all reflections included in the refinement	0.3016
Goodness-of-fit parameter for all reflections included in the refinement	1.298
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.	4320643.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4320643.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4320643.cif
17839	2011-04-10	../uploads/cif-deposit/cod/cif Adding structures of 4320643 via cif-deposit CGI script.	4320643.cif