Information card for entry 7056636

Structure parameters

• Formula: C32 H34 N4 O12 Zn3
• Calculated formula: C32 H34 N4 O12 Zn3
• SMILES: [n]12[Zn]34([O]=C(O[Zn]56([O]=C(O3)C)([O]4C(=O)C)[O]=C(O[Zn]3([n]4ccccc4c4cccc[n]34)([O]=C(O5)C)[O]6C(=O)C)C)C)[n]3c(c2cccc1)cccc3
• Title of publication: Probing the Competition between Acetate and 2,2’-Bipyridine Ligands to Bind to d-Block 12 Group Metals: Molecular and Structural Diversity towards High-Efficiency Luminescent Materials
• Authors of publication: do Nascimento Neto, José Antônio; da Silva, Cameron Capeletti; Ribeiro, Leandro; Vasconcelos, Géssica Adriana; Gontijo Vaz, Boniek; Ferreira, Vinicius Sousa; Queiroz Júnior, Luiz Keng; Maia, Lauro J. Q.; Sarotti, Ariel Marcelo; Martins, Felipe Terra
• Journal of publication: New J. Chem.
• Year of publication: 2017
• Journal volume: 41
• Journal issue: 21
• Pages of publication: 12843 - 12853
• a: 8.0907 ± 0.0003 Å
• b: 9.8783 ± 0.0005 Å
• c: 12.7432 ± 0.0006 Å
• α: 106.076 ± 0.002°
• β: 98.523 ± 0.002°
• γ: 108.795 ± 0.002°
• Cell volume: 894.34 ± 0.07 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0279
• Residual factor for significantly intense reflections: 0.0245
• Weighted residual factors for significantly intense reflections: 0.0659
• Weighted residual factors for all reflections included in the refinement: 0.068
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No