Information card for entry 7041783

Structure parameters

• Formula: C49 H61 Cu2 N7
• Calculated formula: C49 H61 Cu2 N7
• SMILES: C1(=[N](c2c(cccc2C(C)C)C(C)C)[Cu](N(C(=C1)C)c1nc(ccc1)[N]1=C(C=C(C)N([Cu]1[n]1ccccc1)c1c(cccc1C(C)C)C(C)C)C)[n]1ccccc1)C
• Title of publication: Binuclear β-diketiminate complexes of copper(i).
• Authors of publication: Phanopoulos, Andreas; Leung, Alice H. M.; Yow, Shuhui; Palomas, David; White, Andrew J. P.; Hellgardt, Klaus; Horton, Andrew; Crimmin, Mark R.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 7
• Pages of publication: 2081 - 2090
• a: 18.3602 ± 0.0008 Å
• b: 12.4769 ± 0.0005 Å
• c: 10.1119 ± 0.0004 Å
• α: 90°
• β: 103.858 ± 0.005°
• γ: 90°
• Cell volume: 2248.99 ± 0.17 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0496
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.0888
• Weighted residual factors for all reflections included in the refinement: 0.0946
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No