Information card for entry 2243140

Structure parameters

• Chemical name: Bis(anilinium) octa-μ~3~-chlorido-hexachlorido-<i>octahedro</i>-hexamolybdate <i>N</i>,<i>N</i>-dimethylformamide tetrasolvate
• Formula: C24 H44 Cl14 Mo6 N6 O4
• Calculated formula: C24 H44 Cl14 Mo6 N6 O4
• SMILES: C(=O)N(C)C.[Mo]123([Cl]4[Mo]56([Cl]1[Mo]41([Cl]6[Mo]46([Cl]5[Mo]57(Cl)[Cl]2[Mo](Cl)([Cl]37)([Cl]65)[Cl]14)Cl)Cl)Cl)Cl.[NH3+]c1ccccc1.N(C=O)(C)C.c1(ccccc1)[NH3+].CN(C=O)C.CN(C)C=O
• Title of publication: Crystal structures and hydrogen-bonding analysis of a series of solvated ammonium salts of molybdenum(II) chloride clusters
• Authors of publication: Johnston, Dean H.; Agho, Ikponmwosa
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2019
• Journal volume: 75
• Journal issue: 11
• Pages of publication: 1705 - 1711
• a: 9.9813 ± 0.0011 Å
• b: 10.6074 ± 0.0013 Å
• c: 12.1686 ± 0.0015 Å
• α: 104.606 ± 0.003°
• β: 90.709 ± 0.003°
• γ: 103.146 ± 0.003°
• Cell volume: 1210.7 ± 0.3 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 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: 0.0219
• Residual factor for significantly intense reflections: 0.0186
• Weighted residual factors for significantly intense reflections: 0.044
• Weighted residual factors for all reflections included in the refinement: 0.0457
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes