Information card for entry 4323409

Structure parameters

• Formula: C35 H38 F12 Fe N6 O3 P2 V
• Calculated formula: C35 H38 F12 Fe N6 O3 P2 V
• SMILES: [V]123(=O)[O]4[Fe]5678[O]1c1c9C=[N]3CCC[N]2=Cc2c4c(cc(c2)C)C[N]5(CC[N]6(Cc1cc(c9)C)Cc1cccc[n]81)Cc1cccc[n]71.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Bimetallic Reactivity. Oxo Transfer Reactions with a Heterobimetallic Complex of Iron(II) and Vanadium(III)
• Authors of publication: David G. McCollum; Glenn P. A. Yap; Louise Liable-Sands; Arnold L. Rheingold; B. Bosnich
• Journal of publication: Inorganic Chemistry
• Year of publication: 1997
• Journal volume: 36
• Pages of publication: 2230 - 2235
• a: 14.791 ± 0.003 Å
• b: 20.35 ± 0.007 Å
• c: 27.058 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8144 ± 3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 8
• 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: 0.1531
• Residual factor for significantly intense reflections: 0.0556
• Weighted residual factors for all reflections: 0.1245
• Weighted residual factors for significantly intense reflections: 0.1106
• Goodness-of-fit parameter for all reflections: 1.003
• Goodness-of-fit parameter for significantly intense reflections: 1.46
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No