Information card for entry 4071081

Structure parameters

• Formula: C22 H31 Fe2 N2 O2 P Si
• Calculated formula: C22 H31 Fe2 N2 O2 P Si
• SMILES: [Fe]1234567([Fe]89%10%11([P]1(N([Si](C)(C)C)N=C3)C1CCCCC1)(C2=O)(C#[O])[cH]1[cH]8[cH]9[cH]%10[cH]%111)[cH]1[cH]4[cH]5[cH]6[cH]71
• Title of publication: Nucleophilic and Electrophilic Behavior of the Phosphinidene-Bridged Complex [Fe2(η5-C5H5)2(μ-PCy)(μ-CO)(CO)2]
• Authors of publication: Alvarez, M. Angeles; García, M. Esther; González, Rocío; Ruiz, Miguel A.
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 6
• Pages of publication: 1037
• a: 18.5613 ± 0.0004 Å
• b: 10.1935 ± 0.0002 Å
• c: 12.5422 ± 0.0002 Å
• α: 90°
• β: 102.496 ± 0.001°
• γ: 90°
• Cell volume: 2316.83 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0707
• Residual factor for significantly intense reflections: 0.0472
• Weighted residual factors for significantly intense reflections: 0.1233
• Weighted residual factors for all reflections included in the refinement: 0.1672
• Goodness-of-fit parameter for all reflections included in the refinement: 1.222
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No