Information card for entry 7041786

Structure parameters

• Formula: C68 H82 Cu2 N5 P2
• Calculated formula: C68 H82 Cu2 N5 P2
• 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: 14.7652 ± 0.0002 Å
• b: 17.8395 ± 0.0004 Å
• c: 23.9383 ± 0.0004 Å
• α: 90°
• β: 98.5171 ± 0.0017°
• γ: 90°
• Cell volume: 6235.9 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0552
• Residual factor for significantly intense reflections: 0.0363
• Weighted residual factors for significantly intense reflections: 0.0801
• Weighted residual factors for all reflections included in the refinement: 0.0905
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No