Information card for entry 7022057

Structure parameters

• Formula: C18 H28 Mo8 N12 O26
• Calculated formula: C18 H28 Mo8 N12 O26
• SMILES: c1[n](cc[nH]1)[Mo]123([O]4[Mo]567([O]89[Mo]%10%11(=O)(=O)([O]16)O[Mo]169([O]9[Mo]%12([n]%13c[nH]cc%13)(=O)(=O)([Mo]8%119(=O)(O%10)(O%12)=O)[O]6[Mo]68(O5)([O]71[Mo]248(O6)(=O)(O3)=O)(=O)=O)=O)=O)(=O)=O.c1[nH]cc[nH+]1.c1c[nH+]c[nH]1.c1[nH]cc[nH+]1.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: 9.3045 ± 0.0003 Å
• b: 10.5573 ± 0.0005 Å
• c: 12.4212 ± 0.0004 Å
• α: 106.644 ± 0.004°
• β: 103.017 ± 0.003°
• γ: 109.367 ± 0.004°
• Cell volume: 1031.34 ± 0.09 ų
• Cell temperature: 446 ± 2 K
• Ambient diffraction temperature: 446 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0604
• Residual factor for significantly intense reflections: 0.0492
• Weighted residual factors for significantly intense reflections: 0.1001
• Weighted residual factors for all reflections included in the refinement: 0.1046
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No