Information card for entry 4341671

Structure parameters

• Formula: C48 H88 Cl8 Ir2 N2 P4
• Calculated formula: C48 H88 Cl8 Ir2 N2 P4
• SMILES: C1c2ccc3C[P](C(C)C)([Ir]4(n23)([P]1(C(C)C)C(C)C)[CH]1=[CH]4CC[CH]2=[CH](CC1)[Ir]132n2c(C[P]1(C(C)C)C(C)C)ccc2C[P]3(C(C)C)C(C)C)C(C)C.C(Cl)Cl.ClCCl.C(Cl)Cl.C(Cl)Cl
• Title of publication: Ag(I) and Tl(I) Precursors as Transfer Agents of a Pyrrole-Based Pincer Ligand to Late Transition Metals.
• Authors of publication: Kessler, Julie A.; Iluc, Vlad M.
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Pages of publication: 141111134546005
• a: 13.6618 ± 0.0012 Å
• b: 16.8234 ± 0.0015 Å
• c: 13.9669 ± 0.0013 Å
• α: 90°
• β: 111.412 ± 0.002°
• γ: 90°
• Cell volume: 2988.6 ± 0.5 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• 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: 0.0604
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for significantly intense reflections: 0.0738
• Weighted residual factors for all reflections included in the refinement: 0.0789
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No