Information card for entry 4302426

Structure parameters

• Formula: C21 H24 Cu F6 N2 O Sb
• Calculated formula: C21 H24 Cu F6 N2 O Sb
• SMILES: [Sb](F)([F])(F)(F)(F)[F-].[Cu]1([n]2c(ccc3ccc4ccc([n]1c4c23)C(C)(C)C)C(C)(C)C)C#[O]
• Title of publication: Photophysical Characteristics and Reactivity of Bis(2,9-di-tert-butyl-1,10-phenanthroline)copper(I)
• Authors of publication: Omar Green; Bhavesh A. Gandhi; Judith N. Burstyn
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 5704 - 5714
• a: 8.5962 ± 0.0017 Å
• b: 9.2586 ± 0.0019 Å
• c: 14.747 ± 0.003 Å
• α: 86.27 ± 0.03°
• β: 89.99 ± 0.03°
• γ: 87.28 ± 0.03°
• Cell volume: 1169.9 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0544
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.0884
• Weighted residual factors for all reflections included in the refinement: 0.0924
• Goodness-of-fit parameter for all reflections included in the refinement: 0.976
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No