Information card for entry 4332532

Structure parameters

• Common name: dcbpa
• Formula: C10 H9 N3
• Calculated formula: C10 H9 N3
• SMILES: c1(ccncc1)Nc1ccncc1
• Title of publication: Helices versus Zigzag Chains: One-Dimensional Coordination Polymers of AgIand Bis(4-pyridyl)amine
• Authors of publication: Cordes, David B.; Hanton, Lyall R.; Spicer, Mark D.
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 19
• Pages of publication: 7651 - 7664
• a: 7.3221 ± 0.0005 Å
• b: 9.7525 ± 0.0007 Å
• c: 11.8921 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 849.2 ± 0.11 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 3
• Space group number: 29
• Hermann-Mauguin space group symbol: P 21 c a
• Hall space group symbol: P -2ac 2a
• Residual factor for all reflections: 0.0671
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.0787
• Weighted residual factors for all reflections included in the refinement: 0.0849
• Goodness-of-fit parameter for all reflections included in the refinement: 1.115
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No