Information card for entry 7022059

Structure parameters

• Formula: C14 H30 Mo4 N4 Na2 O34
• Calculated formula: C14 H30 Mo4 N4 Na2 O34
• SMILES: [Na]12([O]=C3O[Mo]45([Mo]6(O4)(OC(=O)C(=O)O6)(O5)(=O)[OH2])([O]=C3[O]1[Na]1([O]=C3O[Mo]45([Mo]6(O4)(OC(=O)C(=O)O6)(O5)=O)([O]=C3[O]21)=O)([OH2])([OH2])[OH2])(=O)[OH2])([OH2])([OH2])[OH2].c1c[nH]c[nH+]1.O.O.c1c[nH]c[nH+]1
• Title of publication: Synthesis, spectral, and structural characterizations of imidazole oxalato molybdenum(IV/V/VI) complexes.
• Authors of publication: Chen, Quan-Liang; Chen, Hong-Bin; Cao, Ze-Xing; Zhou, Zhao-Hui
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 5
• Pages of publication: 1627 - 1636
• a: 8.6765 ± 0.0002 Å
• b: 9.5675 ± 0.0003 Å
• c: 11.8913 ± 0.0004 Å
• α: 100.703 ± 0.003°
• β: 100.708 ± 0.002°
• γ: 102.734 ± 0.003°
• Cell volume: 919.24 ± 0.05 ų
• Cell temperature: 446 ± 2 K
• Ambient diffraction temperature: 446 ± 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: 0.045
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.0677
• Weighted residual factors for all reflections included in the refinement: 0.0721
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No