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Information card for entry 4322177
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Coordinates | 4322177.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | 'bis-μ-hydroxo-bis[aquahydroxodotriacontaoxo-μ12-(tetraoxosilicato)-' '(β-4,10-dinickeldecatungsten)ate](12-) |
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Formula | H48 K12 Ni4 O98 Si2 W20 |
Calculated formula | K12 Ni4 O98 Si2 W20 |
SMILES | [K+].O.[K+].O.[K+].O.[K+].[K+].O.[K+].O.[O]12[Ni]3456[O]78[W]9%10(=[O]3)(O[W]37(=[O]4)(=O)O[W]47%11(O[W]%12%13([O]%14%15[W]%16(O%12)(O[W]%12%14(O[W]%14%17%18([O]%19%20[Si]8%15[O]87[W](O[W]8(O%14)(O%12)(O%11)=O)(O4)(O[W]%20(=[O]5)(=[O][Ni]%19([O]=%16)([O]6[Ni]4561[O]17[W]8%11(=[O]4)(O[W]41(=[O]5)(=O)O[W]15%12(O[W]%14%15([O]%16%19[W]%20(O%14)(O[W]%14%16(O[W]%16%21%22(=[O][Ni]%232([O]=[W]2([O]%16%23[Si]7%19[O]75[W](O[W]7(O%21)(O%14)(O%12)=O)(O1)(O2)(O4)=O)(O%22)(=[O]6)=O)([OH2])[O]=%20)=O)(O%15)=O)(=O)O8)(=O)O%11)=O)=O)([OH2])[O]=%17)(O%18)=O)(O3)=O)=O)(O%13)=O)(=O)O9)(=O)O%10)=O)=O.O.O.O.O.O.[K+].[K+].O.[K+].O.[K+].O.[K+].[K+].O.O.O.O.O.O.O |
Title of publication | A Novel Dimeric Ni-Substituted β-Keggin Silicotungstate: Structure and Magnetic Properties of K12[{β-SiNi2W10O36(OH)2(H2O)}2].20H2O |
Authors of publication | Ulrich Kortz; Yves P. Jeannin; André Tézé; Gilbert Hervé; Samih Isber |
Journal of publication | Inorganic Chemistry |
Year of publication | 1999 |
Journal volume | 38 |
Pages of publication | 3670 - 3675 |
a | 13.701 ± 0.004 Å |
b | 24.447 ± 0.011 Å |
c | 13.995 ± 0.005 Å |
α | 90° |
β | 99.62 ± 0.03° |
γ | 90° |
Cell volume | 4622 ± 3 Å3 |
Cell temperature | 295 ± 2 K |
Ambient diffraction temperature | 295 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for significantly intense reflections | 0.046 |
Weighted residual factors for significantly intense reflections | 0.0542 |
Goodness-of-fit parameter for significantly intense reflections | 9.4654 |
Diffraction radiation wavelength | 0.71069 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4322177.html
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