Crystallography Open Database

Information card for entry 4308496

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Coordinates	4308496.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Ce2 Cs8 H60 O108 Si2 W22
Calculated formula	Ce2 Cs8 O108 Si2 W22
SMILES	[O]=[W]1234=[O][Ce]567([OH2])([OH2])([O]=[W]89%10%11=[O][Ce]%12%13([O]=[W]%14%15%16(=[O]7)O[W]7%17(=O)(=[O]6)O[W]6%18%19(=O)O[W]%20(=O)(O1)(=[O]5)O[W]15(=O)(O[W]%21%22(=O)(O2)O[W]2(=O)(O3)(O%14)O[W]3%14(=O)(O%15)O[W]%15(=O)(O%21)(O1)O[W](=O)(O%18)(O7)(O3)[O]%17%19[Si]([O]4%20)([O]5%22%15)[O]%162%14)O6)([O]=[W]123(=O)O[W]45(=O)(=[O]%12)O[W]67%12(=O)O[W]%14%15(=O)(O1)O[W]1%16(=O)(O2)O[W]2(=O)(=[O]%13)(O8)O[W]8%13(=O)(O1)O[W]1(=O)(O7)(O%14)O[W]7(=O)(O%10)(O[W](=O)(O4)(O9)(O6)[O]%117[Si]([O]35)([O]%12%151)[O]%162%13)O8)([OH2])([OH2])[OH2])[OH2].[Cs+].O.[Cs+].O.[Cs+].O.O.O.O.O.O.O.O.O.[Cs+].O.[Cs+].O.[Cs+].O.[Cs+].O.O.[Cs+].O.O.O.O.O.O
Title of publication	Aerobic Oxidation of Formaldehyde Mediated by a Ce-Containing Polyoxometalate under Mild Conditions
Authors of publication	Oxana A. Kholdeeva; Maria N. Timofeeva; Gennadii M. Maksimov; Raisa I. Maksimovskaya; Wade A. Neiwert; Craig L. Hill
Journal of publication	Inorganic Chemistry
Year of publication	2005
Journal volume	44
Pages of publication	666 - 672
a	12.9455 ± 0.0015 Å
b	13.2257 ± 0.0016 Å
c	14.5288 ± 0.0017 Å
α	81.408 ± 0.002°
β	85.618 ± 0.002°
γ	80.726 ± 0.002°
Cell volume	2424 ± 0.5 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0757
Residual factor for significantly intense reflections	0.0579
Weighted residual factors for significantly intense reflections	0.1228
Weighted residual factors for all reflections included in the refinement	0.1299
Goodness-of-fit parameter for all reflections included in the refinement	1.057
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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