Information card for entry 4314757

Structure parameters

• Formula: C42 H54 Cl8 Cu N2
• Calculated formula: C42 H54 Cl8 Cu N2
• SMILES: c1(cccc2c3cccc(c4c(cc(cc4C(C)C)C(C)C)C(C)C)[n]3[Cu]([n]12)(Cl)Cl)c1c(cc(cc1C(C)C)C(C)C)C(C)C.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl
• Title of publication: Synthesis and Characterization of 6,6'-(2,4,6-Triisopropylphenyl)-2,2'-bipyridine (tripbipy) and Its Complexes of the Late First Row Transition Metals
• Authors of publication: Eric E. Benson; Arnold L. Rheingold; Clifford P. Kubiak
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 1458 - 1464
• a: 13.785 ± 0.005 Å
• b: 16.968 ± 0.006 Å
• c: 19.525 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4567 ± 3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0345
• Residual factor for significantly intense reflections: 0.0317
• Weighted residual factors for significantly intense reflections: 0.0732
• Weighted residual factors for all reflections included in the refinement: 0.0753
• Goodness-of-fit parameter for all reflections included in the refinement: 0.955
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No