Information card for entry 4326647

Structure parameters

• Formula: C48 H61 B Cu F4 N4 O P S
• Calculated formula: C48 H61 B Cu F4 N4 O P S
• SMILES: [Cu]12([S](c3ccccc3)CC(n3[n]1c(cc3C(C)C)C(C)C)n1[n]2c(cc1C(C)C)C(C)C)[P](c1ccccc1)(c1ccccc1)c1ccccc1.[B](F)(F)(F)[F-].O1CCCC1
• Title of publication: Structural Variability in Ag(I) and Cu(I) Coordination Polymers with Thioether-Functionalized Bis(pyrazolyl)methane Ligands
• Authors of publication: Irene Bassanetti; Luciano Marchiò
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 10786 - 10797
• a: 9.44 ± 0.001 Å
• b: 10.44 ± 0.001 Å
• c: 12.261 ± 0.001 Å
• α: 101.536 ± 0.001°
• β: 90.687 ± 0.001°
• γ: 93.756 ± 0.001°
• Cell volume: 1181.02 ± 0.19 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 9
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0564
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for significantly intense reflections: 0.0604
• Weighted residual factors for all reflections included in the refinement: 0.0627
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No