Information card for entry 2211225

Structure parameters

• Chemical name: Bis(tetraphenylphosphonium) [octa(μ^3^-chloro)hexakis (trifluoromethanesulfonato)-<i>octahedro</i>-hexamolybdate] dichloromethane/diethylether solvate
• Formula: C59 H52 Cl8 F18 Mo6 O19 P2 S6
• Calculated formula: C54 H40 Cl8 F18 Mo6 O18 P2 S6
• SMILES: c1(ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1.FC(F)(F)S(=O)(=O)O[Mo]1234567[Cl]8[Mo]9%10%11%12%135(OS(=O)(=O)C(F)(F)F)[Cl]5[Mo]%14%15%16%17%18%11(OS(=O)(=O)C(F)(F)F)[Cl]%11[Mo]%19%20%214%16([Cl]1[Mo]78%13%18%21(OS(=O)(=O)C(F)(F)F)([Cl]%14%19)[Cl]%10%15)(OS(=O)(=O)C(F)(F)F)[Cl]3[Mo]6%125%17%11%20(OS(=O)(=O)C(F)(F)F)[Cl]29.c1(ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Bis(tetraphenylphosphonium) octa-μ~3~-chloro-hexakis(trifluoromethanesulfonato)-<i>octahedro</i>-hexamolybdate dichloromethane/diethyl ether solvate
• Authors of publication: Peay, Miya; Updegraff III, James; Gray, Thomas G.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 11
• Pages of publication: m2895 - m2897
• a: 11.871 ± 0.0004 Å
• b: 13.8264 ± 0.0005 Å
• c: 14.0267 ± 0.0005 Å
• α: 74.64 ± 0.002°
• β: 75.367 ± 0.002°
• γ: 74.263 ± 0.002°
• Cell volume: 2095.87 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0394
• Residual factor for significantly intense reflections: 0.0325
• Weighted residual factors for significantly intense reflections: 0.0925
• Weighted residual factors for all reflections included in the refinement: 0.0972
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes