Information card for entry 7033540

Structure parameters

• Formula: C32 H61 Cl6 I N6 O2 P4 Pd
• Calculated formula: C32 H61 Cl6 I N6 O2 P4 Pd
• SMILES: I[Pd]12[P]3(Oc4c2c(O[P]21N(P(NC(C)(C)C)N2C(C)(C)C)C(C)(C)C)ccc4)N(P(NC(C)(C)C)N3C(C)(C)C)C(C)(C)C.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl
• 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: 15.3398 ± 0.0015 Å
• b: 16.6898 ± 0.0017 Å
• c: 18.9655 ± 0.0019 Å
• α: 90°
• β: 94.375 ± 0.002°
• γ: 90°
• Cell volume: 4841.4 ± 0.8 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.058
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for significantly intense reflections: 0.0973
• Weighted residual factors for all reflections included in the refinement: 0.102
• Goodness-of-fit parameter for all reflections included in the refinement: 1.169
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No