Information card for entry 4509333

Structure parameters

• Formula: C36 H38 Ag N8 O5.33
• Calculated formula: C36 H38 Ag N8 O5.33333
• SMILES: c1c([n]2n(C(n3[n]([Ag]42[n]2c(cc(C)n2C(n2c(C)cc([n]42)C)c2ccc(cc2)C(=O)[O-])C)c(cc3C)C)c2ccc(cc2)C(=O)[O-])c1C)C.O.O
• Title of publication: Self-Assembly of Silver(I) Coordination Polymers Formed through Hydrogen Bonding with Ditopic Heteroscorpionate Ligands
• Authors of publication: Santillan, Guillermo A.; Carrano, Carl J.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2009
• Journal volume: 9
• Journal issue: 3
• Pages of publication: 1590
• a: 20.9587 ± 0.0006 Å
• b: 20.9587 ± 0.0006 Å
• c: 47.752 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 18165.6 ± 1.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 167
• Hermann-Mauguin space group symbol: R -3 c :H
• Hall space group symbol: -R 3 2"c
• Residual factor for all reflections: 0.0549
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for significantly intense reflections: 0.1581
• Weighted residual factors for all reflections included in the refinement: 0.1711
• Goodness-of-fit parameter for all reflections included in the refinement: 1.153
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No