Information card for entry 7014836

Structure parameters

• Formula: C46 H36 Cu F18 N12 P3 Pd
• Calculated formula: C46 H36 Cu F18 N12 P3 Pd
• SMILES: [Pd]123[n]4c(CN5C=CN(c6[n]7[Cu]8([n]9cccc%10ccc%11ccc(N%12C=CN(Cc%13[n]1cccc%13)C=3%12)[n]8c%11c9%10)[n]1cccc3ccc(cc6)c7c13)C=25)cccc4.N#CC.N#CC.[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: 21.9896 ± 0.0006 Å
• b: 13.9782 ± 0.0004 Å
• c: 17.6873 ± 0.0004 Å
• α: 90°
• β: 100.695 ± 0.002°
• γ: 90°
• Cell volume: 5342.2 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0875
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.1021
• Weighted residual factors for all reflections included in the refinement: 0.1098
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No