Information card for entry 7022251

Structure parameters

• Formula: C42 H46 N2 O2 Zn2
• Calculated formula: C42 H46 N2 O2 Zn2
• SMILES: c1cc2=[N](C3CCCCC3)[Zn]3(CC)[O](c4ccc5cccc1c5c24)[Zn]1([N](=c2ccc4cccc5ccc([O]31)c2c45)C1CCCCC1)CC
• Title of publication: Substitution effect on phenalenyl backbone in the rate of organozinc catalyzed ROP of cyclic esters.
• Authors of publication: Sen, Tamal K.; Mukherjee, Arup; Modak, Arghya; Mandal, Swadhin K.; Koley, Debasis
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 5
• Pages of publication: 1893 - 1904
• a: 9.0529 ± 0.0016 Å
• b: 9.7356 ± 0.0017 Å
• c: 10.593 ± 0.0018 Å
• α: 108.236 ± 0.003°
• β: 102.958 ± 0.003°
• γ: 95.965 ± 0.003°
• Cell volume: 848.7 ± 0.3 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0485
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.1246
• Weighted residual factors for all reflections included in the refinement: 0.1275
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No