Information card for entry 4343992

Structure parameters

• Formula: C39 H34 Cl5 Cu3 N6
• Calculated formula: C39 H34 Cl5 Cu3 N6
• SMILES: c1cccc2CC3(c4ccccn4)Cc4cccc[n]4[Cu]4567[C]83=[C]34C(Cc4cccc[n]4[Cu]783([n]12)[Cl]6)(c1ccccn1)Cc1cccc[n]51.C(Cl)Cl.Cl[Cu][Cl-]
• Title of publication: Versatile Coordination Mode of a New Pyridine-Based Ditopic Ligand with Transition Metals: From Regular Pyridine to Alkyne and Alkenyl Bindings and Indolizinium Formation.
• Authors of publication: Kumar, Sushil; Mandon, Dominique
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 15
• Pages of publication: 7481 - 7491
• a: 11.6009 ± 0.0004 Å
• b: 12.7092 ± 0.0005 Å
• c: 15.7873 ± 0.0005 Å
• α: 67.175 ± 0.003°
• β: 76.532 ± 0.003°
• γ: 65.461 ± 0.003°
• Cell volume: 1944.44 ± 0.13 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.063
• Residual factor for significantly intense reflections: 0.0505
• Weighted residual factors for significantly intense reflections: 0.125
• Weighted residual factors for all reflections included in the refinement: 0.1372
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No