Information card for entry 4303711

Structure parameters

• Formula: C29 H28 N2
• Calculated formula: C29 H28 N2
• SMILES: N(=C\c1[nH]cc2c3c(c4c(c12)cccc4)cccc3)/c1c(C(C)C)cccc1C(C)C
• Title of publication: Synthesis, Structure, and Photophysical Characterization of Blue-Green Luminescent Zinc Complexes Containing 2-Iminophenanthropyrrolyl Ligands
• Authors of publication: Clara S. B. Gomes; Pedro T. Gomes; M. Teresa Duarte; Roberto E. Di Paolo; António L. Maçanita; Maria José Calhorda
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 11176 - 11186
• a: 12.6922 ± 0.0012 Å
• b: 20.657 ± 0.002 Å
• c: 8.8788 ± 0.0009 Å
• α: 90°
• β: 108.119 ± 0.006°
• γ: 90°
• Cell volume: 2212.4 ± 0.4 ų
• Cell temperature: 150 ± 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1448
• Residual factor for significantly intense reflections: 0.0617
• Weighted residual factors for significantly intense reflections: 0.1441
• Weighted residual factors for all reflections included in the refinement: 0.1673
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No