Information card for entry 7102522

Structure parameters

• Common name: 2,3,4,5-tetra(4-pyridyl)thiophene copper tetrafluoroborate
• Chemical name: 2,3,4,5-tetra(4-pyridyl)thiophene copper tetrafluoroborate
• Formula: C30 H23.5 B Cl9 Cu F4 N5.5 S
• Calculated formula: C24 H16 B0.75 Cu F3.01 N4 S
• Title of publication: A design strategy for four-connected coordination frameworks.
• Authors of publication: Dolomanov, Oleg V; Cordes, David B; Champness, Neil R; Blake, Alexander J; Hanton, Lyall R; Jameson, Geoffrey B; Schröder, Martin; Wilson, Claire
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2004
• Journal issue: 6
• Pages of publication: 642 - 643
• a: 22.522 ± 0.003 Å
• b: 22.522 ± 0.003 Å
• c: 33.6 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 17043 ± 3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• Space group number: 141
• Hermann-Mauguin space group symbol: I 41/a m d :2
• Hall space group symbol: -I 4bd 2
• Residual factor for all reflections: 0.1116
• Residual factor for significantly intense reflections: 0.0662
• Weighted residual factors for significantly intense reflections: 0.1593
• Weighted residual factors for all reflections included in the refinement: 0.1745
• Goodness-of-fit parameter for all reflections included in the refinement: 0.859
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No