Information card for entry 7015358

Structure parameters

• Formula: C16 H28 Br2 N6 O3 Pd S
• Calculated formula: C16 H23 Br2 N6 O3 Pd S
• Title of publication: Synthesis and characterization of metallodendritic palladium-biscarbene complexes derived from 1,1'-methylenebis(1,2,4-triazole).
• Authors of publication: Hornillos, Valentín; Guerra, Javier; de Cózar, Abel; Prieto, Pilar; Merino, Sonia; Maestro, Miguel A.; Díez-Barra, Enrique; Tejeda, Juan
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 16
• Pages of publication: 4095 - 4103
• a: 10.4862 ± 0.0006 Å
• b: 15.5606 ± 0.0009 Å
• c: 14.7375 ± 0.0008 Å
• α: 90°
• β: 100.57 ± 0.001°
• γ: 90°
• Cell volume: 2363.9 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0466
• Residual factor for significantly intense reflections: 0.0337
• Weighted residual factors for significantly intense reflections: 0.0885
• Weighted residual factors for all reflections included in the refinement: 0.0945
• 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: Yes
• Has Fobs: No