Information card for entry 7041788

Structure parameters

• Formula: C88 H101 Cu2 N4 O2.5 P2
• Calculated formula: C88 H101 Cu2 N4 O2.5 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: 12.6567 ± 0.0003 Å
• b: 13.873 ± 0.0004 Å
• c: 24.4443 ± 0.0006 Å
• α: 90.544 ± 0.002°
• β: 104.629 ± 0.002°
• γ: 105.5 ± 0.002°
• Cell volume: 3988.24 ± 0.19 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0731
• Residual factor for significantly intense reflections: 0.0473
• Weighted residual factors for significantly intense reflections: 0.1081
• Weighted residual factors for all reflections included in the refinement: 0.1213
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No