Information card for entry 4066195

Structure parameters

• Formula: C20 H24 B F4 Fe2 N2 O3 P
• Calculated formula: C20 H24 B F4 Fe2 N2 O3 P
• SMILES: [Fe]123456([Fe]789%10([P]1(NN=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.[B](F)(F)(F)[F-]
• 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: 10.723 ± 0.002 Å
• b: 12.889 ± 0.002 Å
• c: 16.683 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2305.7 ± 0.7 ų
• Cell temperature: 120 ± 0.1 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 8
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0281
• Residual factor for significantly intense reflections: 0.0238
• Weighted residual factors for significantly intense reflections: 0.0496
• Weighted residual factors for all reflections included in the refinement: 0.051
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No