Information card for entry 4301140

Structure parameters

• Formula: C34 H28 B Cu N2
• Calculated formula: C34 H28 B Cu N2
• SMILES: [B]1([c]23[cH](cccc2)[Cu]243([c]31[cH]2cccc3)[n]1c(c2cccc[n]42)cccc1)(c1ccccc1)c1ccccc1
• Title of publication: Strong Coordination of Tetraphenylborate Anion to Copper(I) Bipyridine and Phenanthroline-Based Complexes and Its Effect on Catalytic Activity in the Cyclopropanation of Styrene
• Authors of publication: Carolynne Ricardo; Lauren M. Matosziuk; Jeffrey D. Evanseck; Tomislav Pintauer
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 16 - 18
• a: 9.2143 ± 0.0011 Å
• b: 33.258 ± 0.004 Å
• c: 9.2161 ± 0.0011 Å
• α: 90°
• β: 114.185 ± 0.002°
• γ: 90°
• Cell volume: 2576.4 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.0874
• Residual factor for significantly intense reflections: 0.0474
• Weighted residual factors for significantly intense reflections: 0.1033
• Weighted residual factors for all reflections included in the refinement: 0.1201
• Goodness-of-fit parameter for all reflections included in the refinement: 0.938
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No