Information card for entry 4509338

Structure parameters

• Formula: C20 H22 Ag B F4 N5 O2
• Calculated formula: C20 H22 Ag B F4 N5 O2
• SMILES: [Ag]1([n]2n(c(C)cc2C)C(n2[n]1c(cc2C)C)c1cccc(c1)C(=O)O)[N]#CC.[B](F)(F)(F)[F-]
• 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: 10.1023 ± 0.0008 Å
• b: 10.976 ± 0.0009 Å
• c: 11.3498 ± 0.0009 Å
• α: 107.631 ± 0.004°
• β: 90.375 ± 0.005°
• γ: 92.876 ± 0.005°
• Cell volume: 1197.56 ± 0.17 ų
• Cell temperature: 240 ± 2 K
• Ambient diffraction temperature: 240 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.049
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.1072
• Weighted residual factors for all reflections included in the refinement: 0.1155
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No