Information card for entry 4335744

Structure parameters

• Formula: C50.5 H51 B2 Cl Fe N6
• Calculated formula: C50.5048 H51.0096 B2 Cl1.0096 Fe N6
• Title of publication: Tris(2-pyridylborate) (Tpyb) Metal Complexes: Synthesis, Characterization, and Formation of Extrinsically Porous Materials with Large Cylindrical Channels
• Authors of publication: Chengzhong Cui; Patrick R. Shipman; Roger A. Lalancette; Frieder Jäkle
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 9440 - 9448
• a: 35.4883 ± 0.0013 Å
• b: 35.4883 ± 0.0013 Å
• c: 9.8652 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 10759.9 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.035
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.085
• Weighted residual factors for all reflections included in the refinement: 0.086
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No