Information card for entry 7033544

Structure parameters

• Formula: C30 H59 I N6 O2 P4
• Calculated formula: C30 H59 I N6 O2 P4
• SMILES: Ic1c(OP2N(P(N2C(C)(C)C)NC(C)(C)C)C(C)(C)C)cccc1OP1N(P(N1C(C)(C)C)NC(C)(C)C)C(C)(C)C
• 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: 28.754 ± 0.003 Å
• b: 8.4632 ± 0.0008 Å
• c: 16.4274 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3997.6 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0413
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.0915
• Weighted residual factors for all reflections included in the refinement: 0.0929
• Goodness-of-fit parameter for all reflections included in the refinement: 1.131
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No