Information card for entry 4307027

Structure parameters

• Chemical name: 2,9-di-tert-butyl-1,10-phenanthroline copper(I) acetonato hexafluoroantimonate
• Formula: C23 H30 Cu F6 N2 O Sb
• Calculated formula: C23 H30 Cu F6 N2 O Sb
• SMILES: [Cu]1([n]2c(ccc3ccc4ccc([n]1c4c23)C(C)(C)C)C(C)(C)C)[O]=C(C)C.[Sb](F)(F)(F)(F)([F-])F
• Title of publication: Facile Oxidation-Based Synthesis of Sterically Encumbered Four-Coordinate Bis(2,9-di-tert-butyl-1,10-phenanthroline)copper(I) and Related Three-Coordinate Copper(I) Complexes
• Authors of publication: Bhavesh A. Gandhi; Omar Green; Judith N. Burstyn
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 3816 - 3825
• a: 14.3373 ± 0.0018 Å
• b: 6.8138 ± 0.0009 Å
• c: 26.391 ± 0.003 Å
• α: 90°
• β: 104.818 ± 0.002°
• γ: 90°
• Cell volume: 2492.4 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0514
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.0913
• Weighted residual factors for all reflections included in the refinement: 0.0976
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No