Information card for entry 1512952

Structure parameters

• Formula: C34 H24 Cd2 I4 N12
• Calculated formula: C34 H24 Cd2 I4 N12
• SMILES: I[Cd]1(I)[n]2ccc(n3c(nnc3c3ncccc3)c3cc[n]([Cd](I)(I)[n]4ccc(n5c(nnc5c5ncccc5)c5cc[n]1cc5)cc4)cc3)cc2
• 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: 8.3752 ± 0.0007 Å
• b: 9.7463 ± 0.0008 Å
• c: 12.5595 ± 0.0011 Å
• α: 77.464 ± 0.001°
• β: 81.663 ± 0.001°
• γ: 89.535 ± 0.001°
• Cell volume: 989.89 ± 0.14 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.0339
• Residual factor for significantly intense reflections: 0.0277
• Weighted residual factors for significantly intense reflections: 0.0603
• Weighted residual factors for all reflections included in the refinement: 0.0632
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No