Information card for entry 2227430

Structure parameters

• Common name: Acetonitrilebis(neocuproine)copper(II) tetrafluoroborate
• Chemical name: Acetonitrilebis(2,9-dimethyl-1,10-phenanthroline)copper(II) bis(tetrafluoridoborate)
• Formula: C30 H27 B2 Cu F8 N5
• Calculated formula: C30 H27 B2 Cu F8 N5
• Title of publication: Acetonitrilebis(2,9-dimethyl-1,10-phenanthroline)copper(II) bis(tetrafluoridoborate)
• Authors of publication: Watton, Stephen P.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 11
• Pages of publication: m1449
• a: 14.7973 ± 0.0003 Å
• b: 18.5356 ± 0.0003 Å
• c: 22.577 ± 0.0004 Å
• α: 90°
• β: 105.252 ± 0.0018°
• γ: 90°
• Cell volume: 5974.23 ± 0.19 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0797
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.1121
• Weighted residual factors for all reflections included in the refinement: 0.1217
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes