Information card for entry 2219861

Structure parameters

• Chemical name: Di-μ~3~-oxido-di-μ~2~-oxido-tetraoxidobis(1,1,2,2-\ tetramethylethylenedicyclopentadienyl)dimolybdenum(IV)dimolybdenum(VI) hexahydrate
• Formula: C32 H52 Mo4 O14
• Calculated formula: C32 H52 Mo4 O14
• SMILES: [c]123[cH]4[cH]5[cH]6[cH]1[Mo]1789%103456([c]3([cH]7[cH]1[cH]9[cH]83)C(C2(C)C)(C)C)[O]1[Mo]([O]2[Mo]3456789%11%12([c]%13([cH]6[cH]5[cH]4[cH]3%13)C(C([c]37[cH]%12[cH]%11[cH]9[cH]83)(C)C)(C)C)O[Mo]12(=O)=O)(O%10)(=O)=O.O.O.O.O.O.O
• Title of publication: Di-μ~3~-oxido-di-μ~2~-oxido-tetraoxidobis(1,1,2,2-tetramethylethylenedicyclopentadienyl)dimolybdenum(IV)dimolybdenum(VI) hexahydrate
• Authors of publication: Ahmed, Takiya J.; Zakharov, Lev N.; Tyler, David R.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 11
• Pages of publication: m1370 - m1371
• a: 7.4106 ± 0.0007 Å
• b: 9.3518 ± 0.0008 Å
• c: 13.5735 ± 0.0012 Å
• α: 93.365 ± 0.001°
• β: 98.604 ± 0.001°
• γ: 103.175 ± 0.001°
• Cell volume: 901.39 ± 0.14 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0235
• Residual factor for significantly intense reflections: 0.0211
• Weighted residual factors for significantly intense reflections: 0.0521
• Weighted residual factors for all reflections included in the refinement: 0.0538
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes