Information card for entry 4320776

Structure parameters

• Formula: C34 H42 F12 Fe N10 P2
• Calculated formula: C34 H42 F12 Fe N10 P2
• SMILES: c1(n2Cc3cccc4[n]3[Fe]35([n]6n(C4)c(cc6C)C)([n]2c(c1)C)[n]1c(cc(n1Cc1cccc([n]31)Cn1[n]5c(cc1C)C)C)C)C.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Lattice-Dictated Conformers in Bis(pyrazolyl)pyridine-Based Iron(II) Complexes: Mössbauer, NMR, and Magnetic Studies
• Authors of publication: P. Manikandan; K. Padmakumar; K. R. Justin Thomas; B. Varghese; P. T. Manoharan
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 6930 - 6939
• a: 12.6452 ± 0.001 Å
• b: 15.361 ± 0.003 Å
• c: 42.412 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8238 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 73
• Hermann-Mauguin space group symbol: I b c a
• Hall space group symbol: -I 2b 2c
• Residual factor for all reflections: 0.095
• Residual factor for significantly intense reflections: 0.0563
• Weighted residual factors for significantly intense reflections: 0.1559
• Weighted residual factors for all reflections included in the refinement: 0.2033
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No