Information card for entry 7017308

Structure parameters

• Formula: C42 H52 N4 O6 Zn2
• Calculated formula: C42 H52 N4 O6 Zn2
• SMILES: c12C3=[N]([Zn]4(N(c1cccc2)CCOC)[O]([Zn]1(N(c2c(cccc2)C2=[N]1C(CO2)(C)C)CCOC)[O]4Cc1ccccc1)Cc1ccccc1)C(CO3)(C)C
• Title of publication: Structural and catalytic studies of zinc complexes containing amido-oxazolinate ligands.
• Authors of publication: Chen, Ming-Tsz; Chen, Chi-Tien
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 48
• Pages of publication: 12886 - 12894
• a: 10.8346 ± 0.0009 Å
• b: 19.8535 ± 0.0017 Å
• c: 9.8078 ± 0.0008 Å
• α: 90°
• β: 103.536 ± 0.002°
• γ: 90°
• Cell volume: 2051.1 ± 0.3 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 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: 0.0459
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.0958
• Weighted residual factors for all reflections included in the refinement: 0.103
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No