Information card for entry 7020414

Structure parameters

• Formula: C18 H24 B Fe2 O2 P
• Calculated formula: C18 H24 B Fe2 O2 P
• SMILES: [Fe]123456([Fe]789%10%11([P]1([BH2][H]7)C1CCCCC1)(C2=O)[cH]1[cH]8[cH]9[cH]%10[cH]%111)(C#[O])[cH]1[cH]6[cH]5[cH]4[cH]31
• Title of publication: Reactions of the phosphinidene-bridged complexes [Fe(2)(η(5)-C(5)H(5))(2)(μ-PR)(μ-CO)(CO)(2)] (R = Cy, Ph) with electrophiles based on p-block elements.
• Authors of publication: Alvarez, M. Angeles; García, M Esther; González, Rocío; Ruiz, Miguel A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 48
• Pages of publication: 14498 - 14513
• a: 15.2331 ± 0.0011 Å
• b: 11.0731 ± 0.001 Å
• c: 21.585 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3640.9 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0632
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for significantly intense reflections: 0.0967
• Weighted residual factors for all reflections included in the refinement: 0.1212
• Goodness-of-fit parameter for all reflections included in the refinement: 1.176
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No