Information card for entry 7017305

Structure parameters

• Formula: C30 H44 N6 O2 Zn
• Calculated formula: C30 H44 N6 O2 Zn
• SMILES: [Zn]12([N]3=C(OCC3(C)C)c3c(N1CCN(C)C)cccc3)[N]1=C(OCC1(C)C)c1c(N2CCN(C)C)cccc1
• 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: 11.169 ± 0.0011 Å
• b: 8.6171 ± 0.0008 Å
• c: 32.893 ± 0.003 Å
• α: 90°
• β: 94.65 ± 0.002°
• γ: 90°
• Cell volume: 3155.3 ± 0.5 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: 0.0507
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.1037
• Weighted residual factors for all reflections included in the refinement: 0.1104
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No