Information card for entry 7002010

Structure parameters

• Formula: C27 H53 I3 N4 O P2 Pd
• Calculated formula: C27 H53 I3 N4 O P2 Pd
• SMILES: I[Pd]1([P](C[P]1(CC)CC)(CC)CC)=C1N(C(C)(C)C)C=CN1Cn1c[n+](cc1)C(C)(C)C.[I-].[I-].O=C(C)C
• 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: 14.2452 ± 0.0006 Å
• b: 21.1101 ± 0.0008 Å
• c: 12.9669 ± 0.0005 Å
• α: 90°
• β: 94.9031 ± 0.0004°
• γ: 90°
• Cell volume: 3885.1 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• 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: 0.0319
• Residual factor for significantly intense reflections: 0.0284
• Weighted residual factors for significantly intense reflections: 0.0734
• Weighted residual factors for all reflections included in the refinement: 0.076
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No