Information card for entry 7020415

Structure parameters

• Formula: C26 H29 F6 Fe2 N O3 P2
• Calculated formula: C26 H29 F6 Fe2 N O3 P2
• SMILES: [Fe]123456([Fe]789%10([P]1(NCc1ccccc1)C1CCCCC1)(C#[O])(C2=O)[cH]1[cH]%10[cH]9[cH]8[cH]71)(C#[O])[cH]1[cH]3[cH]4[cH]5[cH]61.[P](F)(F)(F)(F)(F)[F-]
• 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: 9.8882 ± 0.0002 Å
• b: 11.9548 ± 0.0003 Å
• c: 12.1755 ± 0.0003 Å
• α: 90°
• β: 100.989 ± 0.001°
• γ: 90°
• Cell volume: 1412.89 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0369
• Residual factor for significantly intense reflections: 0.0291
• Weighted residual factors for significantly intense reflections: 0.0805
• Weighted residual factors for all reflections included in the refinement: 0.1129
• Goodness-of-fit parameter for all reflections included in the refinement: 1.242
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No