Information card for entry 2006730

Structure parameters

• Chemical name: (1-Amino-2-diphenylphosphinobenzene)tetracarbonylmolybdenum(0)
• Formula: C22 H16 Mo N O4 P
• Calculated formula: C22 H16 Mo N O4 P
• SMILES: [Mo]1([P](c2ccccc2)(c2ccccc2)c2c([NH2]1)cccc2)(C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: Tetracarbonyl[2-(diphenylphosphino)aniline-<i>N</i>,<i>P</i>]molybdenum(0)
• Authors of publication: Dahlenburg, Lutz; Herbst, Konrad; Liehr, Günter
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 11
• Pages of publication: 1545 - 1547
• a: 9.157 ± 0.003 Å
• b: 10.815 ± 0.003 Å
• c: 10.855 ± 0.004 Å
• α: 75.78 ± 0.01°
• β: 85.9 ± 0.01°
• γ: 84.42 ± 0.01°
• Cell volume: 1035.9 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.034
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for all reflections: 0.058
• Weighted residual factors for significantly intense reflections: 0.056
• Goodness-of-fit parameter for all reflections: 1.129
• Goodness-of-fit parameter for significantly intense reflections: 1.156
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No