Information card for entry 7705290

Structure parameters

• Formula: C6 H53 Mo9 N6 O43 V
• Calculated formula: C6 H53 Mo9 N6 O43 V
• SMILES: C1C2(C[O]3[Mo]456(O[Mo]78([O]9[Mo]%10(=O)(=O)(O[Mo]%11%12([O]%13[Mo]%14(O[Mo]%15%16(O[Mo](O8)(=O)(=O)(O4)[O]%15[V]9%13[O]46[Mo](O%16)(O%14)([O]15)(=O)[O](C2)[Mo]34(O%10)(O%12)=O)(=O)=O)(=O)(=O)O%11)(=O)=O)O7)(=O)=O)=O)CC.[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].O.O.O.O.O.O.O.O.O
• Title of publication: {VMo₉O₃₁[RC(CH₂O)₃]}^6-: the first class of triol ligand covalently-decorated Keggin-type polyoxomolybdates.
• Authors of publication: Qu, Di; Liu, Xiaoting; Duan, Fengxue; Xue, Rong; Li, Bao; Wu, Lixin
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 37
• Pages of publication: 12950 - 12954
• a: 10.4969 ± 0.0006 Å
• b: 10.5584 ± 0.0005 Å
• c: 21.9105 ± 0.0013 Å
• α: 95.231 ± 0.002°
• β: 102.317 ± 0.002°
• γ: 97.4 ± 0.002°
• Cell volume: 2335 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0343
• Residual factor for significantly intense reflections: 0.0322
• Weighted residual factors for significantly intense reflections: 0.083
• Weighted residual factors for all reflections included in the refinement: 0.0842
• Goodness-of-fit parameter for all reflections included in the refinement: 1.116
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No