Information card for entry 7016257

Structure parameters

• Formula: C33 H31 Cl3 N P Pd
• Calculated formula: C33 H31 Cl3 N P Pd
• SMILES: [Pd]1(c2c3c(C=[N]1c1ccc(cc1)CC)ccc1c3c(cc2)c2c3c1cccc3ccc2)([P](C)(C)C)Cl.C(Cl)Cl
• Title of publication: Cyclopalladated complexes of perylene imine: mononuclear complexes with five- or six-membered metallacycles.
• Authors of publication: Lentijo, Sergio; Miguel, Jesús A; Espinet, Pablo
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 29
• Pages of publication: 7602 - 7609
• a: 8.2882 ± 0.0015 Å
• b: 13.595 ± 0.002 Å
• c: 13.81 ± 0.002 Å
• α: 100.691 ± 0.003°
• β: 97.53 ± 0.003°
• γ: 95.454 ± 0.004°
• Cell volume: 1504.5 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1213
• Residual factor for significantly intense reflections: 0.0544
• Weighted residual factors for significantly intense reflections: 0.1281
• Weighted residual factors for all reflections included in the refinement: 0.1628
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No