Information card for entry 7014837

Structure parameters

• Formula: C46 H38 Cl2 F12 N12 O P2 Pd2
• Calculated formula: C46 H38 Cl2 F12 N12 O P2 Pd2
• SMILES: [Pd]12([n]3c(CN4C=1N(C=C4)c1[n]4[Pd]([n]5c6c4c(cc1)ccc6ccc5)(Cl)Cl)cccc3)[n]1c(CN3C=2N(C=C3)c2nc3c(cc2)ccc2c3nccc2)cccc1.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].N#CC.N#CC.O
• 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: 8.308 ± 0.0011 Å
• b: 23.423 ± 0.002 Å
• c: 26.169 ± 0.003 Å
• α: 90°
• β: 97.39 ± 0.002°
• γ: 90°
• Cell volume: 5050.1 ± 1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 8
• 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: 0.1166
• Residual factor for significantly intense reflections: 0.0791
• Weighted residual factors for significantly intense reflections: 0.2014
• Weighted residual factors for all reflections included in the refinement: 0.236
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No