Information card for entry 7031708

Structure parameters

• Formula: C24 H44 Mo8 N12 O28
• Calculated formula: C24 H44 Mo8 N12 O28
• SMILES: [Mo]123(=O)(=O)O[Mo]45(=O)(=O)[O]62[Mo]278(=O)[O]5[Mo]5(=O)(=O)([O]8[Mo]8([O]97[Mo]76(O4)([O]3[Mo](O1)(=O)(=O)([O]7[Mo]9(O2)(=O)(=O)O8)[n]1[nH]c(cc1)C)=O)(O5)(=O)=O)[n]1[nH]c(cc1)C.[nH]1[nH+]c(cc1)C.[nH]1[nH+]c(cc1)C.[nH]1[nH+]c(cc1)C.[nH]1[nH+]c(cc1)C.O.O
• Title of publication: Experimental and theoretical insights into the oxodiperoxomolybdenum-catalysed sulphide oxidation using hydrogen peroxide in ionic liquids.
• Authors of publication: Carrasco, Carlos J.; Montilla, Francisco; Alvarez, Eleuterio; Mealli, Carlo; Manca, Gabriele; Galindo, Agustín
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 36
• Pages of publication: 13711 - 13730
• a: 19.1767 ± 0.0005 Å
• b: 11.3151 ± 0.0004 Å
• c: 23.0147 ± 0.0007 Å
• α: 90°
• β: 98.482 ± 0.002°
• γ: 90°
• Cell volume: 4939.3 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0179
• Residual factor for significantly intense reflections: 0.0173
• Weighted residual factors for significantly intense reflections: 0.0451
• Weighted residual factors for all reflections included in the refinement: 0.0453
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No