Information card for entry 4320744

Structure parameters

• Formula: C54 H54 N24 O4
• Calculated formula: C54 H54 N24 O4
• SMILES: C(COCc1cc(c(COCC(n2cccn2)(n2cccn2)n2cccn2)cc1COCC(n1cccn1)(n1cccn1)n1cccn1)COCC(n1cccn1)(n1cccn1)n1cccn1)(n1cccn1)(n1cccn1)n1nccc1
• Title of publication: Supramolecular Architecture of a Silver(I) Coordination Polymer Supported by a New Ligand Containing Four Tris(pyrazolyl)methane Units
• Authors of publication: Daniel L. Reger; Radu F. Semeniuc; Mark D. Smith
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 6545 - 6546
• a: 31.474 ± 0.0017 Å
• b: 6.7399 ± 0.0004 Å
• c: 25.7722 ± 0.0014 Å
• α: 90°
• β: 100.334 ± 0.001°
• γ: 90°
• Cell volume: 5378.4 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0647
• Residual factor for significantly intense reflections: 0.0546
• Weighted residual factors for significantly intense reflections: 0.1235
• Weighted residual factors for all reflections included in the refinement: 0.1281
• Goodness-of-fit parameter for all reflections included in the refinement: 1.128
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No