Information card for entry 4504891

Structure parameters

• Formula: C13 H13 Bi I3 N5
• Calculated formula: C13 H13 Bi I3 N5
• Title of publication: Metal Complexes of 2,6-Bis[(pyrazol-1-yl)methyl]pyridine: The Search for Aryl−Pyrazolyl Embrace Interactions as a Synthon for Crystal Engineering
• Authors of publication: Reger, Daniel L.; Semeniuc, Radu F.; Smith, Mark D.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2005
• Journal volume: 5
• Journal issue: 3
• Pages of publication: 1181
• a: 11.7982 ± 0.0007 Å
• b: 12.929 ± 0.0008 Å
• c: 12.9381 ± 0.0008 Å
• α: 90°
• β: 91.429 ± 0.001°
• γ: 90°
• Cell volume: 1973 ± 0.2 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0202
• Residual factor for significantly intense reflections: 0.0191
• Weighted residual factors for significantly intense reflections: 0.0427
• Weighted residual factors for all reflections included in the refinement: 0.043
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No