Information card for entry 7022062

Structure parameters

• Common name: Potassium oxalato imidazole molybdate(V)
• Formula: C10 H14 K2 Mo2 N4 O15
• Calculated formula: C10 H14 K2 Mo2 N4 O15
• SMILES: [Mo]123([Mo]4([n]5cc[nH]c5)(O1)(O2)(=O)OC(=O)C(=O)O4)([n]1c[nH]cc1)(=O)OC(=O)C(=O)O3.[K+].[K+].O.O.O
• 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: 8.6355 ± 0.0002 Å
• b: 29.6451 ± 0.0009 Å
• c: 8.8144 ± 0.0003 Å
• α: 90°
• β: 107.402 ± 0.003°
• γ: 90°
• Cell volume: 2153.21 ± 0.12 ų
• Cell temperature: 446 ± 2 K
• Ambient diffraction temperature: 446 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.05
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.0706
• Weighted residual factors for all reflections included in the refinement: 0.0745
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No