Information card for entry 2007622

Structure parameters

• Chemical name: Sodium ethylenediamminetetraacetato μ-oxo-μ-sulfido bisoxomolybdenum(V) dihydrate
• Formula: C10 H16 Mo2 N2 Na2 O13 S
• Calculated formula: C10 H12 Mo2 N2 Na2 O13 S
• SMILES: C1C(=O)O[Mo]2345(OC(=O)C[N]13CC[N]13[Mo]5(O2)(=O)(OC(C1)=O)(OC(=O)C3)S4)=O.[Na+].O.[Na+].O
• Title of publication: Na~2~[(μ-<i>N</i>,<i>N</i>'-C~10~H~12~N~2~O~8~)(μ-O)(μ-S)Mo~2~O~2~].2H~2~O
• Authors of publication: Valente, Edward J.; Zubkowski, Jeffrey D.; Hicks, Kenneth W.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 9
• Pages of publication: 1265 - 1268
• a: 11.059 ± 0.003 Å
• b: 7.862 ± 0.002 Å
• c: 21.828 ± 0.004 Å
• α: 90°
• β: 97.17 ± 0.02°
• γ: 90°
• Cell volume: 1883 ± 0.8 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 7
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.086
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for all reflections included in the refinement: 0.115
• Goodness-of-fit parameter for all reflections: 0.788
• Goodness-of-fit parameter for all reflections included in the refinement: 0.788
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No