Information card for entry 4328981

Structure parameters

• Formula: C26 H15 N3
• Calculated formula: C26 H15 N3
• SMILES: [nH]1c2c(c3cc(ccc13)C#Cc1ccncc1)cc(cc2)C#Cc1ccncc1
• Title of publication: Coordination-Driven Self-Assembly of 2D-Metallamacrocycles Using a New Carbazole-Based Dipyridyl Donor: Synthesis, Characterization, and C60 Binding Study
• Authors of publication: Sankarasekaran Shanmugaraju; Vaishali Vajpayee; Sunmi Lee; Ki-Whan Chi; Peter J. Stang; Partha Sarathi Mukherjee
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 4817 - 4823
• a: 17.205 ± 0.006 Å
• b: 5.746 ± 0.002 Å
• c: 20.409 ± 0.007 Å
• α: 90°
• β: 104.374 ± 0.008°
• γ: 90°
• Cell volume: 1954.5 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• 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: 0.271
• Residual factor for significantly intense reflections: 0.1354
• Weighted residual factors for significantly intense reflections: 0.2116
• Weighted residual factors for all reflections included in the refinement: 0.2679
• Goodness-of-fit parameter for all reflections included in the refinement: 1.14
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No