Information card for entry 4065799

Structure parameters

• Formula: C31 H39 Fe2 O3 P
• Calculated formula: C31 H39 Fe2 O3 P
• SMILES: [Fe]123456([Fe]789%10([P]1c1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C)(C#[O])(C2=O)[cH]1[cH]7[cH]8[cH]9[cH]%101)(C#[O])[cH]1[cH]6[cH]5[cH]4[cH]31
• Title of publication: Chemical and Structural Effects of Bulkness on Bent-Phosphinidene Bridges: Synthesis and Reactivity of the Diiron Complex [Fe2Cp2{μ-P(2,4,6-C6H2tBu3)}(μ-CO)(CO)2]
• Authors of publication: Alvarez, M. Angeles; García, M. Esther; González, Rocío; Ramos, Alberto; Ruiz, Miguel A.
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 8
• Pages of publication: 1875
• a: 9.7459 ± 0.0004 Å
• b: 11.482 ± 0.0005 Å
• c: 13.4931 ± 0.0006 Å
• α: 73.027 ± 0.002°
• β: 85.188 ± 0.002°
• γ: 76.05 ± 0.002°
• Cell volume: 1401.4 ± 0.11 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0512
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for significantly intense reflections: 0.0756
• Weighted residual factors for all reflections included in the refinement: 0.0838
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No