Information card for entry 4065800

Structure parameters

• Formula: C31 H39 Fe2 O4 P
• Calculated formula: C31 H39 Fe2 O4 P
• SMILES: [Fe]123456([Fe]789%10([P](=O)c%11c(cc(cc%11C(C)(C)C)C(C)(C)C)C(C)(C)C)(C1=O)(C2=O)[cH]1[cH]7[cH]%10[cH]8[cH]91)(C#[O])[cH]1[cH]3[cH]4[cH]5[cH]61
• 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: 10.8126 ± 0.0008 Å
• b: 13.0255 ± 0.0011 Å
• c: 20.5208 ± 0.0017 Å
• α: 90°
• β: 91.402 ± 0.004°
• γ: 90°
• Cell volume: 2889.3 ± 0.4 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1436
• Residual factor for significantly intense reflections: 0.0805
• Weighted residual factors for significantly intense reflections: 0.1309
• Weighted residual factors for all reflections included in the refinement: 0.1506
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No