Information card for entry 7033830

Structure parameters

• Formula: C48 H58 Cl3 N6 O29 S3 Sm
• Calculated formula: C48 H54 Cl3 N6 O29 S3 Sm
• Title of publication: Lanthanide derivatives comprising arylhydrazones of β-diketones: cooperative E/Z isomerization and catalytic activity in nitroaldol reaction.
• Authors of publication: Mahmudov, Kamran T.; Guedes da Silva, M Fátima C; Sutradhar, Manas; Kopylovich, Maximilian N.; Huseynov, Fatali E.; Shamilov, Nazim T.; Voronina, Anna A.; Buslaeva, Tatyana M.; Pombeiro, Armando J. L.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 12
• Pages of publication: 5602 - 5610
• a: 11.2987 ± 0.0005 Å
• b: 12.1861 ± 0.0005 Å
• c: 23.7103 ± 0.001 Å
• α: 76.866 ± 0.002°
• β: 77.383 ± 0.002°
• γ: 87.504 ± 0.002°
• Cell volume: 3102.4 ± 0.2 ų
• Cell temperature: 299 ± 2 K
• Ambient diffraction temperature: 299 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1198
• Residual factor for significantly intense reflections: 0.0827
• Weighted residual factors for significantly intense reflections: 0.2135
• Weighted residual factors for all reflections included in the refinement: 0.2354
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No