Information card for entry 4307023

Structure parameters

• Chemical name: bis(2,9-di-tert-butyl-1,10-phenanthroline)copper(I) hexafluoroantimonate
• Formula: C40 H48 Cu F6 N4 Sb
• Calculated formula: C40 H48 Cu F6 N4 Sb
• SMILES: [Sb](F)(F)(F)(F)([F-])F.[Cu]12([n]3c(ccc4ccc5ccc([n]1c5c34)C(C)(C)C)C(C)(C)C)[n]1c(ccc3ccc4ccc([n]2c4c13)C(C)(C)C)C(C)(C)C
• 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: 12.1995 ± 0.0005 Å
• b: 13.6275 ± 0.0006 Å
• c: 14.4027 ± 0.0006 Å
• α: 92.833 ± 0.001°
• β: 109.737 ± 0.001°
• γ: 107.814 ± 0.001°
• Cell volume: 2114.31 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0398
• Residual factor for significantly intense reflections: 0.0315
• Weighted residual factors for significantly intense reflections: 0.0753
• Weighted residual factors for all reflections included in the refinement: 0.0785
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No