Information card for entry 4064101

Structure parameters

• Formula: C36 H38 Fe3 O3 P2
• Calculated formula: C36 H38 Fe3 O3 P2
• SMILES: [Fe]1234567([Fe]89%10%11(P([Fe]%12%13%14%15([PH]1c1c(cc(cc1C)C)C)(C#[O])[cH]1[cH]%12[cH]%13[cH]%14[cH]%151)c1c(cc(cc1C)C)C)(C2=O)(C3=O)[cH]1[cH]8[cH]9[cH]%10[cH]%111)[cH]1[cH]7[cH]6[cH]5[cH]41
• Title of publication: Synthesis and Decarbonylation Reactions of Diiron Cyclopentadienyl Complexes with Bent-Phosphinidene Bridges
• Authors of publication: Alvarez, M. Angeles; García, M. Esther; González, Rocío; Ramos, Alberto; Ruiz, Miguel A.
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 5
• Pages of publication: 1102
• a: 23.646 ± 0.002 Å
• b: 9.1154 ± 0.0009 Å
• c: 33.408 ± 0.003 Å
• α: 90°
• β: 104.087 ± 0.005°
• γ: 90°
• Cell volume: 6984.3 ± 1.1 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1176
• Residual factor for significantly intense reflections: 0.0593
• Weighted residual factors for significantly intense reflections: 0.1282
• Weighted residual factors for all reflections included in the refinement: 0.146
• Goodness-of-fit parameter for all reflections included in the refinement: 0.973
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No