Information card for entry 2004221

Structure parameters

• Chemical name: Tetracarbonylbis(3-aminopropyl)phenylphosphinemolybdenum(0)
• Formula: C16 H21 Mo N2 O4 P
• Calculated formula: C16 H21 Mo N2 O4 P
• SMILES: [Mo]1([P](CCC[NH2]1)(CCCN)c1ccccc1)(C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: [Bis(3-aminopropyl)phenylphosphine-<i>N</i>,<i>P</i>]tetracarbonylmolybdenum(0)
• Authors of publication: Hursthouse, M. B.; Malik, K. M. A.; Beckett, M. A.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 12
• Pages of publication: 2480 - 2482
• a: 18.479 ± 0.004 Å
• b: 14.511 ± 0.005 Å
• c: 14.389 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3858.4 ± 1.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0886
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for all reflections: 0.1275
• Weighted residual factors for significantly intense reflections: 0.0858
• Goodness-of-fit parameter for all reflections: 0.653
• Goodness-of-fit parameter for significantly intense reflections: 0.617
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No