Information card for entry 4303712

Structure parameters

• Formula: C58 H54 N4 Zn
• Calculated formula: C58 H54 N4 Zn
• SMILES: c1cc2c(cc1)c1c(cccc1)c1c2c2n([Zn]3(n4cc5c(c6ccccc6c6ccccc56)c4C=[N]3c3c(cccc3C(C)C)C(C)C)[N](c3c(C(C)C)cccc3C(C)C)=C2)c1
• 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: 16.105 ± 0.008 Å
• b: 12.486 ± 0.007 Å
• c: 24.603 ± 0.013 Å
• α: 90°
• β: 108.52 ± 0.03°
• γ: 90°
• Cell volume: 4691 ± 4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.3027
• Residual factor for significantly intense reflections: 0.0898
• Weighted residual factors for significantly intense reflections: 0.171
• Weighted residual factors for all reflections included in the refinement: 0.225
• Goodness-of-fit parameter for all reflections included in the refinement: 0.835
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No