Information card for entry 7111810

Structure parameters

• Formula: C58 H68 N4 Se2 Zn2
• Calculated formula: C58 H68 N4 Se2 Zn2
• SMILES: c1(cc(C)c(c(c1)C)[N]1=C(C=C(C)N(c2c(cc(cc2C)C)C)[Zn]21[Se](c1ccccc1)[Zn]1([N](=C(C=C(C)N1c1c(cc(cc1C)C)C)C)c1c(cc(cc1C)C)C)[Se]2c1ccccc1)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: 12.812 ± 0.003 Å
• b: 15.463 ± 0.004 Å
• c: 14.313 ± 0.003 Å
• α: 90°
• β: 112.843 ± 0.012°
• γ: 90°
• Cell volume: 2613.2 ± 1.1 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0615
• Residual factor for significantly intense reflections: 0.0348
• Weighted residual factors for significantly intense reflections: 0.0827
• Weighted residual factors for all reflections included in the refinement: 0.0944
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No