Information card for entry 7014835

Structure parameters

• Formula: C42 H30 Ag F18 N10 P3 Pd
• Calculated formula: C42 H30 Ag F18 N10 P3 Pd
• SMILES: [Pd]123[n]4c(CN5C=2N(C=C5)c2[n]5[Ag]6([n]7c8c5c(cc2)ccc8ccc7)[n]2c(N5C=3N(C=C5)Cc3[n]1cccc3)ccc1c2c2[n]6cccc2cc1)cccc4.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Heterobimetallic complexes containing an N-heterocyclic carbene based multidentate ligand and catalyzed tandem click/Sonogashira reactions.
• Authors of publication: Gu, Shaojin; Xu, Daichao; Chen, Wanzhi
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 7
• Pages of publication: 1576 - 1583
• a: 20.7545 ± 0.0019 Å
• b: 8.1456 ± 0.0014 Å
• c: 28.866 ± 0.003 Å
• α: 90°
• β: 94.547 ± 0.002°
• γ: 90°
• Cell volume: 4864.7 ± 1.1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.1376
• Residual factor for significantly intense reflections: 0.0892
• Weighted residual factors for significantly intense reflections: 0.1738
• Weighted residual factors for all reflections included in the refinement: 0.1872
• Goodness-of-fit parameter for all reflections included in the refinement: 1.134
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No