Information card for entry 4066194

Structure parameters

• Formula: C20 H23 Fe2 N2 O3 P
• Calculated formula: C20 H23 Fe2 N2 O3 P
• SMILES: [Fe]123456([Fe]789%10([P]1([N-]N=C)C1CCCCC1)(C#[O])(C2=O)[cH]1[cH]7[cH]8[cH]9[cH]%101)(C#[O])[cH]1[cH]3[cH]4[cH]5[cH]61
• Title of publication: Reactions of the Phosphinidene-Bridged Complexes [Fe2(η5-C5H5)2(μ-PR)(μ-CO)(CO)2] (R = Cy, Ph, 2,4,6-C6H2tBu3) with Diazoalkanes. Formation and Rearrangements of Phosphadiazadiene-Bridged Derivatives†
• Authors of publication: Alvarez, M. Angeles; García, M. Esther; González, Rocío; Ruiz, Miguel A.
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 21
• Pages of publication: 5140
• a: 12.018 ± 0.002 Å
• b: 11.601 ± 0.002 Å
• c: 14.223 ± 0.002 Å
• α: 90°
• β: 91.31 ± 0.003°
• γ: 90°
• Cell volume: 1982.5 ± 0.6 ų
• Cell temperature: 120 ± 0.1 K
• Ambient diffraction temperature: 120 ± 0.1 K
• Number of distinct elements: 6
• 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: 0.0543
• Residual factor for significantly intense reflections: 0.0339
• Weighted residual factors for significantly intense reflections: 0.0681
• Weighted residual factors for all reflections included in the refinement: 0.0733
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No