Information card for entry 2212483

Structure parameters

• Chemical name: {N,N-bis[(diphenylphosphino)methyl]aniline}tetracarbonylmolybdenum(0)
• Formula: C36 H29 Mo N O4 P2
• Calculated formula: C36 H29 Mo N O4 P2
• SMILES: [Mo]1(C#[O])(C#[O])(C#[O])(C#[O])[P](c2ccccc2)(c2ccccc2)CN(c2ccccc2)C[P]1(c1ccccc1)c1ccccc1
• Title of publication: {<i>N</i>,<i>N</i>-Bis[(diphenylphosphino)methyl]aniline}tetracarbonylmolybdenum(0)
• Authors of publication: Sanchez Ballester, Noelia M.; Elsegood, Mark R. J.; Smith, Martin B.; Brown, Gavin M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 3
• Pages of publication: m719 - m721
• a: 10.2072 ± 0.0006 Å
• b: 11.28 ± 0.0007 Å
• c: 14.5527 ± 0.0009 Å
• α: 100.047 ± 0.001°
• β: 93.162 ± 0.001°
• γ: 101.316 ± 0.001°
• Cell volume: 1610.84 ± 0.17 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0692
• Residual factor for significantly intense reflections: 0.0592
• Weighted residual factors for significantly intense reflections: 0.1546
• Weighted residual factors for all reflections included in the refinement: 0.1637
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.691 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes