Information card for entry 7710423

Structure parameters

• Formula: C12 H41 Mo12 N6 O56 P
• Calculated formula: C12 H31 Mo12 N6 O56 P
• SMILES: [Mo]1234(O[Mo]567(O[Mo]89%10(O[Mo]%11%12(O5)([O]5%13[Mo]%14(O[Mo]%15%16(O[Mo]%17%18%19(O[Mo]%20(=O)(O[Mo]%21(O8)([O]89[Mo]9(O[Mo](=O)(O%15)(O[Mo]5(O%14)(O9)(=O)O%12)([O]%16%17=P%138[O]46%20)O%19)(O%10)(O%21)=O)(O%18)=O)(O3)O7)=O)(=O)O2)(O1)(=O)O%11)=O)=O)=O)=O.O=C(O)CNC(=O)C[NH3+].OC(=O)CNC(=O)C[NH3+].O=C(CNC(=O)C[NH3+])O.O.O.O.O.O.O.O
• Title of publication: Factors influencing stoichiometry and stability of polyoxometalate - peptide complexes.
• Authors of publication: Greijer, Björn H; Nestor, Gustav; Eriksson, Jan E.; Seisenbaeva, Gulaim A.; Kessler, Vadim G.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2022
• Journal volume: 51
• Journal issue: 24
• Pages of publication: 9511 - 9521
• a: 12.7308 ± 0.0012 Å
• b: 13.051 ± 0.0012 Å
• c: 18.0332 ± 0.0017 Å
• α: 97.897 ± 0.001°
• β: 105.218 ± 0.001°
• γ: 105.907 ± 0.001°
• Cell volume: 2708.8 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0296
• Residual factor for significantly intense reflections: 0.0263
• Weighted residual factors for significantly intense reflections: 0.067
• Weighted residual factors for all reflections included in the refinement: 0.0686
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No