Information card for entry 2003379

Structure parameters

• Chemical name: Bis(triphenylphosphine)iminium Tetrachloro-oxo-molybdenum(V)
• Formula: C36 H30 Cl4 Mo N O P2
• Calculated formula: C36 H30 Cl4 Mo N O P2
• SMILES: [Mo](=O)(Cl)(Cl)(Cl)Cl.N(=P(c1ccccc1)(c1ccccc1)c1ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Bis(triphenylphosphine)iminium Tetrachlorooxomolybdenum(V) at 150 K
• Authors of publication: Blake, A. J.; Parsons, S.; Downs, A. J.; Limberg, C.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 4
• Pages of publication: 571 - 573
• a: 21.47 ± 0.006 Å
• b: 16.765 ± 0.002 Å
• c: 9.6155 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3461 ± 1.2 ų
• Cell temperature: 150 ± 0.2 K
• Ambient diffraction temperature: 150 ± 0.2 K
• Number of distinct elements: 7
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0546
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for all reflections: 0.0872
• Weighted residual factors for significantly intense reflections: 0.078
• Goodness-of-fit parameter for all reflections: 1.082
• Goodness-of-fit parameter for significantly intense reflections: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No