Information card for entry 4506157

Structure parameters

• Formula: C36 H24 N6
• Calculated formula: C36 H24 N6
• SMILES: C(#CC#Cc1ccc(cc1)N(c1ccncc1)c1ccncc1)c1ccc(cc1)N(c1ccncc1)c1ccncc1
• Title of publication: Novel Bis(4,4′-dipyridylamine) Ligand with a Flexible Butadiyne Linker: Syntheses, Structures, and Photoluminescence of d10Metal Coordination Polymers
• Authors of publication: Ding, Caixia; Li, Xing; Ding, Yubin; Li, Xin; Ng, Seik Weng; Xie, Yongshu
• Journal of publication: Crystal Growth & Design
• Year of publication: 2012
• Journal volume: 12
• Journal issue: 7
• Pages of publication: 3465
• a: 11.6733 ± 0.001 Å
• b: 7.8997 ± 0.0008 Å
• c: 16.1755 ± 0.0015 Å
• α: 90°
• β: 98.79 ± 0.001°
• γ: 90°
• Cell volume: 1474.1 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1168
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.061
• Weighted residual factors for all reflections included in the refinement: 0.0701
• Goodness-of-fit parameter for all reflections included in the refinement: 0.965
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No