Information card for entry 1520558

Structure parameters

• Common name: Ag triflate DEPN
• Chemical name: Silver trifluoromethanesulfonate 1,8-bis[(E)-2-(4-pyridyl)ethenyl] naphthalene
• Formula: C50 H36 Ag2 F6 N4 O6 S2
• Calculated formula: C50 H36 Ag2 F6 N4 O6 S2
• SMILES: [Ag]1(OS(=O)(=O)C(F)(F)F)[n]2ccc(cc2)/C=C/c2c3c(/C=C/c4cc[n]([Ag](OS(=O)(=O)C(F)(F)F)[n]5ccc(cc5)/C=C/c5c6c(/C=C/c7cc[n]1cc7)cccc6ccc5)cc4)cccc3ccc2
• Title of publication: Intramolecular [2 + 2] Photodimerization Achieved in the Solid State via Coordination-Driven Self-Assembly.
• Authors of publication: Laird, Rebecca C.; Sinnwell, Michael A.; Nguyen, Nam P.; Swenson, Dale C.; Mariappan, S. V. Santhana; MacGillivray, Leonard R.
• Journal of publication: Organic letters
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 13
• Pages of publication: 3233 - 3235
• a: 10.3809 ± 0.0011 Å
• b: 10.9748 ± 0.0011 Å
• c: 11.0438 ± 0.0012 Å
• α: 109.43 ± 0.005°
• β: 98.185 ± 0.005°
• γ: 97.328 ± 0.005°
• Cell volume: 1153.7 ± 0.2 ų
• Cell temperature: 210 ± 2 K
• Ambient diffraction temperature: 210 ± 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: 0.0377
• Residual factor for significantly intense reflections: 0.0296
• Weighted residual factors for significantly intense reflections: 0.0818
• Weighted residual factors for all reflections included in the refinement: 0.0884
• Goodness-of-fit parameter for all reflections included in the refinement: 0.988
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No