Information card for entry 2243143

Structure parameters

• Chemical name: 1,1'-Dimethyl-4,4'-bipyridinium octa-μ~3~-chlorido-hexachlorido-<i>octahedro</i>-hexamolybdate <i>N</i>,<i>N</i>-dimethylformamide tetrasolvate
• Formula: C24 H42 Cl14 Mo6 N6 O4
• Calculated formula: C24 H42 Cl14 Mo6 N6 O4
• SMILES: c1cc(c2cc[n+](cc2)C)cc[n+]1C.CN(C=O)C.[Mo]123([Cl]4[Mo]56([Cl]7[Mo]48([Cl]1[Mo]14([Cl]9[Mo](Cl)([Cl]35)([Cl]24)[Cl]6[Mo]79([Cl]81)Cl)Cl)(Cl))Cl)Cl.N(C=O)(C)C.CN(C)C=O.C(=O)N(C)C
• 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: 9.8252 ± 0.0011 Å
• b: 10.0933 ± 0.0011 Å
• c: 12.6319 ± 0.0015 Å
• α: 107.395 ± 0.003°
• β: 91.881 ± 0.003°
• γ: 93.309 ± 0.003°
• Cell volume: 1191.8 ± 0.2 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: 0.0239
• Residual factor for significantly intense reflections: 0.0201
• Weighted residual factors for significantly intense reflections: 0.0472
• Weighted residual factors for all reflections included in the refinement: 0.0489
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes