Information card for entry 7050646

Structure parameters

• Formula: C16 H14 B N6 Tl
• Calculated formula: C16 H14 B N6 Tl
• Title of publication: Chiral coordination polymers based on thallium(i) complexes of new bis- and tris(pyrazolyl)borate ligands with externally-directed 4-pyridyl groups
• Authors of publication: Davies, Graham M.; Jeffery, John C.; Ward, Michael D.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2003
• Journal volume: 27
• Journal issue: 11
• Pages of publication: 1550
• a: 10.454 ± 0.002 Å
• b: 6.374 ± 0.0013 Å
• c: 12.338 ± 0.003 Å
• α: 90°
• β: 98.96 ± 0.03°
• γ: 90°
• Cell volume: 812.1 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0407
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.0773
• Weighted residual factors for all reflections included in the refinement: 0.0785
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No