Information card for entry 7044280

Structure parameters

• Formula: C73 H69 Cl3 Cu2 N8 O10.5 P4
• Calculated formula: C73 H59 Cl3 Cu2 N8 O10.5 P4
• Title of publication: Structural diversity in Cu(I) complexes of the PNP ligand: from pincer to binuclear coordination modes and their effects upon the electrochemical and photophysical properties.
• Authors of publication: Arce, Pablo; Vera , Cristian M.; Escudero, Dayra L.; Guerrero, Juan; Lappin, Alexander G.; Oliver, Allen Grayson; Jara, Danilo H.; Ferraudi, G.; Lemus, Luis A.
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 12.8814 ± 0.0018 Å
• b: 14.442 ± 0.002 Å
• c: 22.538 ± 0.003 Å
• α: 107.055 ± 0.002°
• β: 94.26 ± 0.002°
• γ: 111.323 ± 0.002°
• Cell volume: 3656.2 ± 0.9 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0525
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.1031
• Weighted residual factors for all reflections included in the refinement: 0.1111
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No