Information card for entry 7713816

Structure parameters

• Formula: C65 H73 B Cl6 Cu F4 N3 O2 P2 S
• Calculated formula: C65 H73 B Cl6 Cu F4 N3 O2 P2 S
• Title of publication: Heteroleptic copper(I) complexes with coumarin-substituted aminodiphosphine and diimine ligands: synthesis and photophysical studies.
• Authors of publication: Naina, Vanitha R.; Singh, Akhil K.; Shubham, ?; Krätschmer, Frederic; Lebedkin, Sergei; Kappes, Manfred M.; Roesky, Peter W.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2023
• a: 14.757 ± 0.002 Å
• b: 15 ± 0.004 Å
• c: 16.552 ± 0.005 Å
• α: 77.69 ± 0.02°
• β: 65.656 ± 0.019°
• γ: 87.432 ± 0.018°
• Cell volume: 3257.5 ± 1.5 ų
• Cell temperature: 110 K
• Ambient diffraction temperature: 110 K
• Number of distinct elements: 10
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0995
• Residual factor for significantly intense reflections: 0.0716
• Weighted residual factors for significantly intense reflections: 0.1857
• Weighted residual factors for all reflections included in the refinement: 0.2256
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No