Information card for entry 1512953

Structure parameters

• Formula: C86 H90 Cd4 I8 N30 O6
• Calculated formula: C86 H90 Cd4 I8 N30 O6
• SMILES: I[Cd]1([O]=CN(C)C)([O]=CN(C)C)([n]2ccc(n3c(nnc3c3ncccc3)c3cc[n]([Cd](I)([O]=CN(C)C)([O]=CN(C)C)([n]4ccc(n5c(nnc5c5ncccc5)c5cc[n]1cc5)cc4)[n]1ccc(cc1)c1nnc(n1c1cc[n]([Cd](I)(I)I)cc1)c1ncccc1)cc3)cc2)[n]1ccc(cc1)c1nnc(n1c1cc[n]([Cd](I)(I)I)cc1)c1ncccc1.O=CN(C)C.O=CN(C)C
• Title of publication: Solvent-regulated assemblies of silver(I) and cadmium(II) supramolecular complexes with versatile tripyridyltriazole multidentate ligands
• Authors of publication: Jian Guo; Cheng-Peng Li; Miao Du
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2013
• Journal volume: 395
• Pages of publication: 212 - 217
• a: 13.404 ± 0.0019 Å
• b: 14.696 ± 0.002 Å
• c: 17.14 ± 0.004 Å
• α: 99.668 ± 0.003°
• β: 104.125 ± 0.003°
• γ: 117.122 ± 0.002°
• Cell volume: 2757.5 ± 0.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1199
• Residual factor for significantly intense reflections: 0.0574
• Weighted residual factors for significantly intense reflections: 0.119
• Weighted residual factors for all reflections included in the refinement: 0.1463
• Goodness-of-fit parameter for all reflections included in the refinement: 0.977
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No