Information card for entry 7022058

Structure parameters

• Formula: C15 H19 Mo3 N10 Na0 O9
• Calculated formula: C15 H20 Mo3 N10 O9
• SMILES: [Mo]123([Mo](O1)(O[Mo](O3)(=O)=O)(O2)(=O)([n]1c[nH]cc1)[n]1cc[nH]c1)(=O)([n]1c[nH]cc1)[n]1c[nH]cc1.[nH]1cncc1.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: 10.4113 ± 0.0003 Å
• b: 8.5644 ± 0.0003 Å
• c: 28.5006 ± 0.0009 Å
• α: 90°
• β: 95.693 ± 0.003°
• γ: 90°
• Cell volume: 2528.77 ± 0.14 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: 0.0817
• Residual factor for significantly intense reflections: 0.0577
• Weighted residual factors for significantly intense reflections: 0.1168
• Weighted residual factors for all reflections included in the refinement: 0.1245
• Goodness-of-fit parameter for all reflections included in the refinement: 1.274
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No