Information card for entry 4320775

Structure parameters

• Formula: C86 H88 B2 Fe N12
• Calculated formula: C86.02 H82 B2 Fe N12.02
• 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: 11.444 ± 0.003 Å
• b: 16.799 ± 0.008 Å
• c: 19.801 ± 0.006 Å
• α: 90.45 ± 0.03°
• β: 91.59 ± 0.02°
• γ: 94.28 ± 0.03°
• Cell volume: 3794 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1078
• Residual factor for significantly intense reflections: 0.0542
• Weighted residual factors for all reflections: 0.1696
• Weighted residual factors for significantly intense reflections: 0.1364
• Goodness-of-fit parameter for all reflections: 1.085
• Goodness-of-fit parameter for significantly intense reflections: 1.149
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No