Information card for entry 2005851

Structure parameters

• Chemical name: Bis (bistriphenylphosphineimine) hexamolybdate
• Formula: C72 H60 Mo6 N2 O19 P4
• Calculated formula: C72 H60 Mo6 N2 O19 P4
• SMILES: N(=P(c1ccccc1)(c1ccccc1)c1ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Mo]1234(O[Mo]567(O[Mo]89(O1)(O[Mo]1%10(O2)(O[Mo]2(O[Mo]([O]358%102)(O4)(O6)(O1)=O)(O9)(=O)O7)=O)=O)=O)=O.N(=P(c1ccccc1)(c1ccccc1)c1ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Bis[bis(triphenylphosphine)iminium] Hexamolybdate
• Authors of publication: Hoppe, S.; Stark, J. L.; Whitmire, K. H.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 1
• Pages of publication: 68 - 70
• a: 11.368 ± 0.002 Å
• b: 13.49 ± 0.003 Å
• c: 13.573 ± 0.003 Å
• α: 61.62 ± 0.03°
• β: 84.55 ± 0.03°
• γ: 87.83 ± 0.03°
• Cell volume: 1823 ± 0.8 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 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: 0.0713
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for all reflections: 0.1228
• Weighted residual factors for significantly intense reflections: 0.1086
• Goodness-of-fit parameter for all reflections: 1.046
• Goodness-of-fit parameter for significantly intense reflections: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No