Information card for entry 4070487

Structure parameters

• Formula: C44 H26 Fe4 O11 P2
• Calculated formula: C44 H26 Fe4 O11 P2
• SMILES: [Fe]123([Fe]45([Fe]61([Fe]4([O]356)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O])([P](c1cccc3cccc([P]2(c2ccccc2)c2ccccc2)c13)(c1ccccc1)c1ccccc1)C#[O]
• Title of publication: Synthesis and Molecular Structure of [Fe4(CO)10(μ4-O)(κ2-dppn)] (dppn = 1,8-bis(diphenylphosphino)naphthalene): A Missing Piece in the [M4(CO)12(μ4-E)]n−(M = Fe, Ru; E = C, N, O;n= 2, 1, 0) Puzzle
• Authors of publication: Ghosh, Shishir; Hogarth, Graeme; Kabir, Shariff E.; Miah, Abdul Latif; Salassa, Luca; Sultana, Sharmin; Garino, Claudio
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 24
• Pages of publication: 7047
• a: 11.233 ± 0.002 Å
• b: 17.597 ± 0.004 Å
• c: 21.277 ± 0.004 Å
• α: 90°
• β: 100.173 ± 0.004°
• γ: 90°
• Cell volume: 4139.6 ± 1.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.0672
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for significantly intense reflections: 0.0911
• Weighted residual factors for all reflections included in the refinement: 0.0991
• Goodness-of-fit parameter for all reflections included in the refinement: 0.974
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No