Information card for entry 7111811

Structure parameters

• Formula: C50 H68 N4 O2 Zn2
• Calculated formula: C50 H68 N4 O2 Zn2
• SMILES: C1(=CC(=[N](c2c(cc(cc2C)C)C)[Zn]2(N1c1c(cc(cc1C)C)C)[O](CC)[Zn]1(N(C(=CC(C)=[N]1c1c(cc(cc1C)C)C)C)c1c(cc(cc1C)C)C)[O]2CC)C)C
• Title of publication: Reaction of L2Zn2 with Ph2E2 ‒ synthesis of LZnEPh and reactions with oxygen and H-acidic substrates
• Authors of publication: S. Gondzik; S. Schulz; D. Blaser; C. Wolper
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 1189
• a: 10.6645 ± 0.0007 Å
• b: 11.1272 ± 0.0007 Å
• c: 11.991 ± 0.0008 Å
• α: 72.859 ± 0.002°
• β: 73.051 ± 0.002°
• γ: 61.825 ± 0.002°
• Cell volume: 1178.84 ± 0.14 ų
• Cell temperature: 170 ± 1 K
• Ambient diffraction temperature: 170 ± 1 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: 0.0407
• Residual factor for significantly intense reflections: 0.0351
• Weighted residual factors for significantly intense reflections: 0.0985
• Weighted residual factors for all reflections included in the refinement: 0.1044
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No