Information card for entry 4339214

Structure parameters

• Formula: C97 H78 B2 Cl7.5 Cu2 F8 N4 O2 P4
• Calculated formula: C97 H78 B2 Cl7.5 Cu2 F8 N4 O2 P4
• Title of publication: Copper(I) complexes of bis(2-(diphenylphosphino)phenyl) ether: synthesis, reactivity, and theoretical calculations.
• Authors of publication: Venkateswaran, Ramalingam; Balakrishna, Maravanji S.; Mobin, Shaikh M.; Tuononen, Heikki M.
• Journal of publication: Inorganic chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 16
• Pages of publication: 6535 - 6541
• a: 13.803 ± 0.002 Å
• b: 19.089 ± 0.004 Å
• c: 20.051 ± 0.005 Å
• α: 69.255 ± 0.019°
• β: 77.065 ± 0.016°
• γ: 72.71 ± 0.015°
• Cell volume: 4675.6 ± 1.8 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1253
• Residual factor for significantly intense reflections: 0.0736
• Weighted residual factors for significantly intense reflections: 0.1869
• Weighted residual factors for all reflections included in the refinement: 0.2066
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No