Information card for entry 2019530

Structure parameters

• Chemical name: Pentacarbonyl[(pentafluoroethyl)bis(piperidin-1-yl)phosphane-κ<i>P</i>]molybdenum(0)
• Formula: C17 H20 F5 Mo N2 O5 P
• Calculated formula: C17 H20 F5 Mo N2 O5 P
• SMILES: [Mo]([P](N1CCCCC1)(N1CCCCC1)C(F)(F)C(F)(F)F)(C#[O])(C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: Two molybdenum pentacarbonyl complexes with electroneutral phosphane ligands: [bis(morpholin-4-yl)(pentafluoroethyl)phosphane-κ<i>P</i>]pentacarbonylmolybdenum(0) and pentacarbonyl[(pentafluoroethyl)bis(piperidin-1-yl)phosphane-κ<i>P</i>]molybdenum(0)
• Authors of publication: Petrochko, Natalia G.; Peters, R. Gregory; Baughman, Russell G.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 5
• Pages of publication: 508 - 511
• a: 10.4472 ± 0.0003 Å
• b: 15.8563 ± 0.0006 Å
• c: 14.0067 ± 0.0006 Å
• α: 90°
• β: 105.11 ± 0.003°
• γ: 90°
• Cell volume: 2240.05 ± 0.15 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0383
• Residual factor for significantly intense reflections: 0.0284
• Weighted residual factors for significantly intense reflections: 0.068
• Weighted residual factors for all reflections included in the refinement: 0.0724
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes