Information card for entry 2243142

Structure parameters

• Chemical name: <i>N</i>,<i>N</i>'-(1,4-Phenylene)bis(propan-2-iminium) octa-μ~3~-chlorido-hexachlorido-<i>octahedro</i>-hexamolybdate acetone trisolvate
• Formula: C21 H36 Cl14 Mo6 N2 O3
• Calculated formula: C21 H36 Cl14 Mo6 N2 O3
• 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: 9.451 ± 0.002 Å
• b: 11.236 ± 0.003 Å
• c: 11.712 ± 0.003 Å
• α: 64.933 ± 0.006°
• β: 71.174 ± 0.006°
• γ: 75.44 ± 0.006°
• Cell volume: 1056.7 ± 0.5 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: 0.0303
• Residual factor for significantly intense reflections: 0.0252
• Weighted residual factors for significantly intense reflections: 0.0649
• Weighted residual factors for all reflections included in the refinement: 0.0681
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes