Information card for entry 7038382

Structure parameters

• Formula: C46 H74 Br2 Cl4 Cu2 N4 P2
• Calculated formula: C46 H74 Br2 Cl4 Cu2 N4 P2
• SMILES: C12N(C=CN1c1cccc(c1)C[P](C(C)(C)C)(C(C)(C)C)[Cu](=C1N(C=CN1c1cccc(c1)C[P](C(C)(C)C)(C(C)(C)C)[Cu]=2Br)CCCC)Br)CCCC.C(Cl)Cl.C(Cl)Cl
• 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: 11.1931 ± 0.0005 Å
• b: 16.2112 ± 0.0004 Å
• c: 17.2184 ± 0.0007 Å
• α: 90°
• β: 106.908 ± 0.002°
• γ: 90°
• Cell volume: 2989.3 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0859
• Residual factor for significantly intense reflections: 0.0571
• Weighted residual factors for significantly intense reflections: 0.1322
• Weighted residual factors for all reflections included in the refinement: 0.1438
• Goodness-of-fit parameter for all reflections included in the refinement: 0.974
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No