Information card for entry 2206218

Structure parameters

• Formula: C30 H30 F6 Fe O2 P2
• Calculated formula: C30 H30 F6 Fe O2 P2
• SMILES: [Fe]1234([P](c5ccccc5)(c5ccccc5)c5ccccc5)([c]5([c]1([c]2([c]3([c]45C)C)C)C)C)(C#[O])C#[O].[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Dicarbonyl(η^5^-pentamethylcyclopentadienyl)(triphenylphosphine)iron(II) hexafluorophosphate
• Authors of publication: Hiroshi Nakazawa; Masumi Itazaki; Mari Owaribe
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 7
• Pages of publication: m1275 - m1276
• a: 17.534 ± 0.001 Å
• b: 15.616 ± 0.001 Å
• c: 21.394 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5857.9 ± 0.7 ų
• Cell temperature: 153.2 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 significantly intense reflections: 0.0632
• Weighted residual factors for all reflections included in the refinement: 0.1762
• Goodness-of-fit parameter for all reflections included in the refinement: 1.113
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes