Information card for entry 2217303

Structure parameters

• Chemical name: [4'-(2-Bromo-5-pyridyl)-2,2':6',2''-terpyridine-\ κ^3^N,N',N'']bis(triphenylphosphine-κP)copper(I) tetrafluoridoborate dichloromethane hemisolvate
• Formula: C56.5 H44 B Br Cl Cu F4 N4 P2
• Calculated formula: C56.5 H43 B Br Cl Cu F4 N4 P2
• Title of publication: [4'-(2-Bromo-5-pyridyl)-2,2':6',2''-terpyridine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'']bis(triphenylphosphine-κ<i>P</i>)copper(I) tetrafluoridoborate dichloromethane hemisolvate
• Authors of publication: Polson, Matthew I. J.; Hanan, Garry S.; Taylor, Nicholas J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 1
• Pages of publication: m205 - m205
• a: 13.89 ± 0.0005 Å
• b: 13.9623 ± 0.0006 Å
• c: 15.2549 ± 0.0005 Å
• α: 72.358 ± 0.001°
• β: 83.652 ± 0.0011°
• γ: 69.821 ± 0.001°
• Cell volume: 2646.23 ± 0.17 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0707
• Residual factor for significantly intense reflections: 0.0606
• Weighted residual factors for significantly intense reflections: 0.2008
• Weighted residual factors for all reflections included in the refinement: 0.2086
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes