Information card for entry 7038386

Structure parameters

• Formula: C54 H58 Ag2 B2 Cl4 F8 N4 P2
• Calculated formula: C54 H58 Ag2 B2 Cl4 F8 N4 P2
• SMILES: C12N(C=CN1c1cccc(c1)C[P](c1ccccc1)(c1ccccc1)[Ag]=C1N(C=CN1c1cccc(c1)C[P](c1ccccc1)(c1ccccc1)[Ag]=2)CCCC)CCCC.C(Cl)Cl.C(Cl)Cl.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-]
• Title of publication: Coinage metal complexes with bridging hybrid phosphine-NHC ligands: synthesis of di- and tetra-nuclear complexes.
• Authors of publication: Simler, Thomas; Braunstein, Pierre; Danopoulos, Andreas A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 12
• Pages of publication: 5122 - 5139
• a: 18.1207 ± 0.0013 Å
• b: 13.5275 ± 0.0009 Å
• c: 24.0052 ± 0.0017 Å
• α: 90°
• β: 94.636 ± 0.002°
• γ: 90°
• Cell volume: 5865.1 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.1378
• Residual factor for significantly intense reflections: 0.0721
• Weighted residual factors for significantly intense reflections: 0.1474
• Weighted residual factors for all reflections included in the refinement: 0.1722
• 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