Information card for entry 4317540

Structure parameters

• Formula: C38 H50 Cl2 N8 O12 Zn2
• Calculated formula: C38 H50 Cl2 N8 O12 Zn2
• SMILES: c12c3c(C=[N]4CCC[N]5[Zn]64([n]4ccc(N)cc4)[O]3[Zn]34([N](=C1)CCC[N]3=Cc1cc(C)cc(c1[O]64)C=5)[n]1ccc(N)cc1)cc(C)c2.[O-]Cl(=O)(=O)=O.OCC.[O-]Cl(=O)(=O)=O.OCC
• Title of publication: Formation of Molecular Ladder Elements with Macrocyclic Platforms via Linear Bifunctional Ligands
• Authors of publication: Wei Huang; Shaohua Gou; Dahua Hu; Suchada Chantrapromma; Hoong-Kun Fun; Qingjin Meng
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 864 - 868
• a: 22.113 ± 0.003 Å
• b: 17.181 ± 0.002 Å
• c: 11.6611 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4430.3 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.1009
• Residual factor for significantly intense reflections: 0.0615
• Weighted residual factors for significantly intense reflections: 0.185
• Weighted residual factors for all reflections included in the refinement: 0.2064
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No