Information card for entry 4506821

Structure parameters

• Formula: C15 H12 N4
• Calculated formula: C15 H12 N4
• SMILES: c1(ccnc(c1)C#N)CCCc1cc(C#N)ncc1
• Title of publication: Temperature, Cooling Rate, and Additive-Controlled Supramolecular Isomerism in Four Pb(II) Coordination Polymers with an in Situ Ligand Transformation Reaction
• Authors of publication: Deng, Dongsheng; Liu, Leilei; Ji, Bao-Ming; Yin, Guojie; Du, Chenxia
• Journal of publication: Crystal Growth & Design
• Year of publication: 2012
• Journal volume: 12
• Journal issue: 11
• Pages of publication: 5338
• a: 6.8839 ± 0.0015 Å
• b: 8.8678 ± 0.0019 Å
• c: 10.965 ± 0.002 Å
• α: 90.466 ± 0.003°
• β: 102.738 ± 0.003°
• γ: 101.102 ± 0.003°
• Cell volume: 639.8 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0838
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.0967
• Weighted residual factors for all reflections included in the refinement: 0.1167
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No