Information card for entry 7002008

Structure parameters

• Formula: C23 H36 I3 N4 P Pd
• Calculated formula: C23 H36 I3 N4 P Pd
• SMILES: I[Pd](I)([P](c1ccccc1)(C)C)=C1N(C(C)(C)C)C=CN1Cn1c[n+](cc1)C(C)(C)C.[I-]
• Title of publication: Carbene-anchored/pendent-imidazolium species as precursors to di-N-heterocyclic carbene-bridged mixed-metal complexes
• Authors of publication: Zamora, Matthew T.; Ferguson, Michael J.; McDonald, Robert; Cowie, Martin
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 35
• Pages of publication: 7269
• a: 9.4861 ± 0.0011 Å
• b: 12.032 ± 0.0013 Å
• c: 14.0083 ± 0.0016 Å
• α: 91.9746 ± 0.0012°
• β: 100.933 ± 0.0012°
• γ: 103.963 ± 0.0012°
• Cell volume: 1518 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0266
• Residual factor for significantly intense reflections: 0.0251
• Weighted residual factors for significantly intense reflections: 0.0757
• Weighted residual factors for all reflections included in the refinement: 0.0764
• Goodness-of-fit parameter for all reflections included in the refinement: 1.157
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No