Information card for entry 1518849

Structure parameters

• Formula: C44 H44 N2 Ni O8
• Calculated formula: C44 H44 N2 Ni O8
• SMILES: OCC.OCC.[Ni]([n]1ccccc1)([OH2])([OH2])(OC(=O)c1c2c(cc3c1cccc3)cccc2)(OC(=O)c1c2c(cccc2)cc2c1cccc2)[n]1ccccc1
• Title of publication: Microwave and solvothermal methods for the synthesis of nickel and ruthenium complexes with 9-anthracene carboxylate ligand
• Authors of publication: Miguel Cortijo; Patricia Delgado-Martinez; Rodrigo Gonzalez-Prieto; Santiago Herrero; Reyes Jimenez-Aparicio; Josefina Perles; Jose L. Priego; M.R. Torres
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2015
• Journal volume: 424
• Pages of publication: 176 - 185
• a: 8.2501 ± 0.0008 Å
• b: 15.522 ± 0.0014 Å
• c: 31.598 ± 0.003 Å
• α: 90°
• β: 93.455 ± 0.002°
• γ: 90°
• Cell volume: 4039 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.1472
• Residual factor for significantly intense reflections: 0.0528
• Weighted residual factors for significantly intense reflections: 0.1178
• Weighted residual factors for all reflections included in the refinement: 0.1677
• 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