Information card for entry 7010131

Structure parameters

• Formula: C36 H43 Br2 Cl2 Fe N3 P2 Si2
• Calculated formula: C36 H43 Br2 Cl2 Fe N3 P2 Si2
• SMILES: [Fe]12(Br)(Br)[N]([Si](C)(C)C)=P(c3ccccc3)(c3ccccc3)c3cccc(P(=[N]1[Si](C)(C)C)(c1ccccc1)c1ccccc1)[n]23.C(Cl)Cl
• Title of publication: Sterically hindered iminophosphorane complexes of vanadium, iron, cobalt and nickel: a synthetic, structural and catalytic study †
• Authors of publication: Al-Benna, Sarah; Sarsfield, Mark J.; Thornton-Pett, Mark; Ormsby, Daniel L.; Maddox, Peter J.; Brès, Philippe; Bochmann, Manfred
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 23
• Pages of publication: 4247
• a: 9.4409 ± 0.0002 Å
• b: 20.1425 ± 0.0005 Å
• c: 22.0698 ± 0.0005 Å
• α: 79.809 ± 0.0013°
• β: 79.541 ± 0.0014°
• γ: 88.65 ± 0.0015°
• Cell volume: 4061.86 ± 0.16 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1024
• Residual factor for significantly intense reflections: 0.068
• Weighted residual factors for significantly intense reflections: 0.1534
• Weighted residual factors for all reflections included in the refinement: 0.1738
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No