Information card for entry 4509335

Structure parameters

• Formula: C36 H38 Ag N9 O9
• Calculated formula: C36 H38 Ag N9 O9
• SMILES: [Ag]12([n]3n(c(C)cc3C)C(n3[n]1c(cc3C)C)c1cc(C(=O)O)ccc1)[n]1n(c(C)cc1C)C(n1[n]2c(cc1C)C)c1cccc(C(=O)O)c1.N(=O)(=O)[O-].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: 11.865 ± 0.002 Å
• b: 14.349 ± 0.003 Å
• c: 24.268 ± 0.005 Å
• α: 90°
• β: 95.609 ± 0.009°
• γ: 90°
• Cell volume: 4111.9 ± 1.4 ų
• Cell temperature: 240 ± 2 K
• Ambient diffraction temperature: 240 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0976
• Residual factor for significantly intense reflections: 0.0779
• Weighted residual factors for significantly intense reflections: 0.2058
• Weighted residual factors for all reflections included in the refinement: 0.2351
• Goodness-of-fit parameter for all reflections included in the refinement: 1.125
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No