Information card for entry 7118916

Structure parameters

• Formula: C38 H36 Cu2 P2
• Calculated formula: C38 H36 Cu2 P2
• SMILES: [Cu]1([Cu](C)[CH3]1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: An unexpected transmetalation intermediate: isolation and structural characterization of a solely CH3 bridged di-copper(i) complex.
• Authors of publication: Molteni, Roberto; Bertermann, Rüdiger; Edkins, Katharina; Steffen, Andreas
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 28
• Pages of publication: 5019 - 5022
• a: 10.0317 ± 0.0003 Å
• b: 12.1017 ± 0.0004 Å
• c: 13.3609 ± 0.0004 Å
• α: 97.647 ± 0.001°
• β: 94.311 ± 0.001°
• γ: 95.342 ± 0.001°
• Cell volume: 1594.3 ± 0.09 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0291
• Residual factor for significantly intense reflections: 0.0247
• Weighted residual factors for significantly intense reflections: 0.0799
• Weighted residual factors for all reflections included in the refinement: 0.0916
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0486
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No