Information card for entry 7032890

Structure parameters

• Formula: C37 H43 Cl3 I6 N12 Pd3
• Calculated formula: C37 H43 Cl3 I6 N12 Pd3
• SMILES: [Pd](I)(c1c(c2cc(cc(c2)c2n(n[n+](c2[Pd](I)(I)[n]2ccccc2)CC)C)c2n(C)n[n+](c2[Pd](I)(I)[n]2ccccc2)CC)n(n[n+]1CC)C)([n]1ccccc1)I.ClC(Cl)Cl
• Title of publication: Redox-active multinuclear Pd(II) complexes with bis- and tris-mesoionic carbenes.
• Authors of publication: Maity, Ramananda; van der Meer, Margarethe; Sarkar, Biprajit
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 1
• Pages of publication: 46 - 49
• a: 9.6689 ± 0.0016 Å
• b: 13.324 ± 0.002 Å
• c: 22.043 ± 0.004 Å
• α: 80.049 ± 0.003°
• β: 80.289 ± 0.003°
• γ: 71.545 ± 0.004°
• Cell volume: 2633.4 ± 0.8 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 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: 0.0837
• Residual factor for significantly intense reflections: 0.0708
• Weighted residual factors for significantly intense reflections: 0.1539
• Weighted residual factors for all reflections included in the refinement: 0.1598
• Goodness-of-fit parameter for all reflections included in the refinement: 1.199
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No