Information card for entry 4314758

Structure parameters

• Formula: C41 H53 Cl5 N2 Zn
• Calculated formula: C41 H53 Cl5 N2 Zn
• SMILES: c1(cccc2c3cccc(c4c(cc(cc4C(C)C)C(C)C)C(C)C)[n]3[Zn]([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: 8.9639 ± 0.0008 Å
• b: 28.157 ± 0.002 Å
• c: 16.7861 ± 0.0014 Å
• α: 90°
• β: 99.866 ± 0.001°
• γ: 90°
• Cell volume: 4174.1 ± 0.6 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: 0.0851
• Residual factor for significantly intense reflections: 0.0491
• Weighted residual factors for significantly intense reflections: 0.0999
• Weighted residual factors for all reflections included in the refinement: 0.1135
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No