Information card for entry 4308899

Structure parameters

• Formula: C16 H16 B2 Cu F8 N4 O
• Calculated formula: C16 H16 B2 Cu F8 N4 O
• SMILES: [B](F)(F)(F)[F-].[B](F)(F)(F)[F-].C(C)#[N][Cu]1([n]2cccc3c2c2[n]1cccc2cc3)([OH2])[N]#CC
• Title of publication: Solution and Solid-State Variation of Cupric Phenanthroline Complexes
• Authors of publication: Jason A. Aligo; Laura Smith; Judith L. Eglin; Laura E. Pence
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 4001 - 4007
• a: 8.4972 ± 0.0016 Å
• b: 12.028 ± 0.002 Å
• c: 10.182 ± 0.002 Å
• α: 90°
• β: 95.53 ± 0.004°
• γ: 90°
• Cell volume: 1035.8 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0634
• Residual factor for significantly intense reflections: 0.0488
• Weighted residual factors for significantly intense reflections: 0.14
• Weighted residual factors for all reflections included in the refinement: 0.1509
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No