Information card for entry 4314756

Structure parameters

• Formula: C41 H53 Cl5 N2 Ni
• Calculated formula: C41 H53 Cl5 N2 Ni
• SMILES: c1(cccc2c3cccc(c4c(cc(cc4C(C)C)C(C)C)C(C)C)[n]3[Ni]([n]12)(Cl)Cl)c1c(cc(cc1C(C)C)C(C)C)C(C)C.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: 9.036 ± 0.006 Å
• b: 28.218 ± 0.018 Å
• c: 16.666 ± 0.011 Å
• α: 90°
• β: 99.386 ± 0.009°
• γ: 90°
• Cell volume: 4193 ± 5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.0513
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.0963
• Weighted residual factors for all reflections included in the refinement: 0.102
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No