Information card for entry 4315607

Structure parameters

• Formula: C32 H44 N2
• Calculated formula: C32 H44 N2
• SMILES: c1c(cccc1CNc1c(cccc1C(C)C)C(C)C)CNc1c(cccc1C(C)C)C(C)C
• Title of publication: NCN Trianionic Pincer Ligand Precursors: Synthesis of Bimetallic, Chelating Diamide, and Pincer Group IV Complexes
• Authors of publication: Soumya Sarkar; Kevin P. McGowan; Jeffrey A. Culver; Adam R. Carlson; Jürgen Koller; Andrew J. Peloquin; Melanie K. Veige; Khalil A. Abboud; Adam S. Veige
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 5143 - 5156
• a: 10.773 ± 0.0015 Å
• b: 11.3453 ± 0.0016 Å
• c: 13.5349 ± 0.0019 Å
• α: 112.047 ± 0.002°
• β: 90.73 ± 0.002°
• γ: 113.013 ± 0.002°
• Cell volume: 1386.4 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0757
• Residual factor for significantly intense reflections: 0.0489
• Weighted residual factors for significantly intense reflections: 0.1213
• Weighted residual factors for all reflections included in the refinement: 0.1347
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No