Information card for entry 7033542

Structure parameters

• Formula: C60 H118 Cu4 I6 N12 O4 P8 Pd2
• Calculated formula: C60 H118 Cu4 I6 N12 O4 P8 Pd2
• Title of publication: A cyclodiphosphazane based pincer ligand, [2,6-{μ-((t)BuN)2P((t)BuHN)PO}2C6H3I]: Ni(II), Pd(II), Pt(II) and Cu(I) complexes and catalytic studies.
• Authors of publication: Ananthnag, Guddekoppa S.; Mague, Joel T.; Balakrishna, Maravanji S.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 8
• Pages of publication: 3785 - 3793
• a: 15.39 ± 0.004 Å
• b: 19.203 ± 0.005 Å
• c: 18.045 ± 0.005 Å
• α: 90°
• β: 111.99 ± 0.004°
• γ: 90°
• Cell volume: 4945 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• 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: 0.0523
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.0969
• Weighted residual factors for all reflections included in the refinement: 0.1031
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No