Information card for entry 7702446

Structure parameters

• Common name: {[Ag(pybut)]BF4.MeCN}n
• Chemical name: '{Ag[1,4-bis(4-pyridyl)butadiyne]tetrafluoroborate}.acetonitrile solvate'
• Formula: C16 H11 Ag B F4 N3
• Calculated formula: C16 H8 Ag B F4 N3
• Title of publication: Long-range chain orientation in 1-D co-ordination polymers as a function of anions and intermolecular aromatic interactions
• Authors of publication: Blake, Alexander J.; Baum, Gerhard; Champness, Neil R.; Chung, Simon S. M.; Cooke, Paul A.; Fenske, Dieter; Khlobystov, Andrei N.; Lemenovskii, Dmitrii A.; Li, Wan-Sheung; Schröder, Martin
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 23
• Pages of publication: 4285
• a: 8.175 ± 0.003 Å
• b: 7.147 ± 0.002 Å
• c: 14.917 ± 0.004 Å
• α: 90°
• β: 91.28 ± 0.03°
• γ: 90°
• Cell volume: 871.3 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.0575
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.1115
• Weighted residual factors for all reflections included in the refinement: 0.1241
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No