Information card for entry 7056632

Structure parameters

• Formula: C14 H20 N2 O7 Zn
• Calculated formula: C14 H20 N2 O7 Zn
• SMILES: [Zn]12([O]=C(O1)C)([n]1c(c3cccc[n]23)cccc1)OC(=O)C.O.O.O
• 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: 20.1431 ± 0.0008 Å
• b: 8.0764 ± 0.0004 Å
• c: 21.7544 ± 0.0009 Å
• α: 90°
• β: 97.401 ± 0.002°
• γ: 90°
• Cell volume: 3509.6 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0473
• Residual factor for significantly intense reflections: 0.0363
• Weighted residual factors for significantly intense reflections: 0.0892
• Weighted residual factors for all reflections included in the refinement: 0.0963
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No