Information card for entry 2208353

Structure parameters

• Chemical name: [μ-1κC^1^:2(C^2^,C^3^-η)-Allyl]tetracarbonyl-1κ^2^C,2κ^2^C-(1η^5^- cyclopentadienyl)(2η^5^-pentamethylcyclopentadienyl)rutheniumiron hexafluorophosphate
• Formula: C22 H25 F6 Fe O4 P Ru
• Calculated formula: C22 H25 F6 Fe O4 P Ru
• SMILES: [Fe]12345([c]6([c]4([c]3([c]2([c]16C)C)C)C)C)([CH2]=[CH]5C[Ru]1234([cH]5[cH]1[cH]2[cH]3[cH]45)(C#[O])C#[O])(C#[O])C#[O].[P](F)(F)(F)(F)(F)[F-]
• Title of publication: [μ-1κ<i>C</i>^1^:2(C^2^,<i>C</i>^3^-η)-Allyl]tetracarbonyl-1κ^2^<i>C</i>,2κ^2^<i>C</i>-(1η^5^-cyclopentadienyl)(2η^5^-pentamethylcyclopentadienyl)rutheniumiron hexafluorophosphate
• Authors of publication: Holger B. Friedrich; Evans O. Changamu; Melanie Rademeyer
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 3
• Pages of publication: m405 - m407
• a: 21.246 ± 0.002 Å
• b: 8.3301 ± 0.0018 Å
• c: 16.459 ± 0.002 Å
• α: 90°
• β: 123.109 ± 0.006°
• γ: 90°
• Cell volume: 2440 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0311
• Residual factor for significantly intense reflections: 0.0299
• Weighted residual factors for significantly intense reflections: 0.0774
• Weighted residual factors for all reflections included in the refinement: 0.078
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes