Information card for entry 2221680

Structure parameters

• Chemical name: Acetonitrilebis(2,9-dimethylphenanthroline)copper(II) bis(tetrafluoroborate) acetonitrile disolvate
• Formula: C34 H33 B2 Cu F8 N7
• Calculated formula: C34 H33 B2 Cu F8 N7
• Title of publication: Acetonitrilebis(2,9-dimethylphenanthroline)copper(II) bis(tetrafluoridoborate) acetonitrile disolvate
• Authors of publication: Watton, Stephen P.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 5
• Pages of publication: m585 - m586
• a: 11.2865 ± 0.0019 Å
• b: 12.07 ± 0.002 Å
• c: 13.802 ± 0.002 Å
• α: 72.843 ± 0.015°
• β: 83.746 ± 0.015°
• γ: 73.933 ± 0.015°
• Cell volume: 1725.6 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0676
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.0939
• Weighted residual factors for all reflections included in the refinement: 0.098
• Goodness-of-fit parameter for all reflections included in the refinement: 0.887
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes