Information card for entry 7062285

Structure parameters

• Formula: C51 H62 Br Cl2 Cu N6 P2
• Calculated formula: C51 H62 Br Cl2 Cu N6 P2
• SMILES: [Cu]12([P](c3c([N]1=C(NC(C)C)NC(C)C)cccc3)(c1ccccc1)c1ccccc1)[P](c1c([N]2=C(NC(C)C)NC(C)C)cccc1)(c1ccccc1)c1ccccc1.[Br-].C(Cl)Cl
• Title of publication: Synthesis and characterisation of group 11 metal complexes with a guanidine-tagged triphenylphosphine and evaluation of the isolated Au(i) complexes in gold-mediated organic reactions
• Authors of publication: Leitner, Zdeněk; Císařová, Ivana; Štěpnička, Petr
• Journal of publication: New Journal of Chemistry
• Year of publication: 2023
• Journal volume: 47
• Journal issue: 12
• Pages of publication: 5930 - 5938
• a: 11.3528 ± 0.0005 Å
• b: 22.4212 ± 0.001 Å
• c: 20.7154 ± 0.0008 Å
• α: 90°
• β: 101.49 ± 0.002°
• γ: 90°
• Cell volume: 5167.3 ± 0.4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0282
• Residual factor for significantly intense reflections: 0.0259
• Weighted residual factors for significantly intense reflections: 0.0584
• Weighted residual factors for all reflections included in the refinement: 0.0601
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No