Information card for entry 1512454

Structure parameters

• Formula: C24 H34 F6 Fe N3 P
• Calculated formula: C24 H34 F6 Fe N3 P
• SMILES: [F-][P](F)(F)(F)(F)F.CC([N]#C[Fe]1234(C#[N]C(C)(C)C)(C#[N]C(C)(C)C)[cH]5[cH]2[c]23cccc[c]42[cH]15)(C)C
• Title of publication: Synthesis of iron complexes [(n5-indenyl)FeL3]+ from the readily available[(n5-indenyl)Fe(n6-indene)]+
• Authors of publication: Dmitry S. Perekalin; Maria V. Babak; Eduard E. Karslyan; Yulia V. Nelyubina; Alexander R. Kudinov
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2012
• Journal volume: 392
• Pages of publication: 73 - 76
• a: 11.21 ± 0.008 Å
• b: 14.566 ± 0.009 Å
• c: 17.044 ± 0.01 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2783 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0508
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.0466
• Weighted residual factors for all reflections included in the refinement: 0.0482
• Goodness-of-fit parameter for all reflections included in the refinement: 0.974
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No