Information card for entry 2204755

Structure parameters

• Chemical name: Pentacarbonyl(3,3',4,4'-tetramethyl-1,1'-diphosphaferrocene-κP)tungsten(0)
• Formula: C17 H16 Fe O5 P2 W
• Calculated formula: C17 H16 Fe O5 P2 W
• SMILES: [W]([p]16[cH]([Fe]23456789[cH]6[p]3[cH]2[c]4([c]56C)C)[c]7([c]8([cH]19)C)C)(C#[O])(C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: Pentacarbonyl(3,3',4,4'-tetramethyl-1,1'-diphosphaferrocene-κ<i>P</i>)tungsten(0)
• Authors of publication: Sieroń, Lesław; Tosik, Anita
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 12
• Pages of publication: m1828 - m1829
• a: 13.279 ± 0.013 Å
• b: 10.857 ± 0.009 Å
• c: 14.061 ± 0.012 Å
• α: 90°
• β: 101.02 ± 0.07°
• γ: 90°
• Cell volume: 1990 ± 3 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0358
• Residual factor for significantly intense reflections: 0.0257
• Weighted residual factors for significantly intense reflections: 0.0571
• Weighted residual factors for all reflections included in the refinement: 0.0593
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No