Information card for entry 4339216

Structure parameters

• Formula: C73 H58 B Cl2 Cu F4 O2.5 P4 Se
• Calculated formula: C73 H58 B Cl2 Cu F4 O2.5 P4 Se
• 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: 12.898 ± 0.002 Å
• b: 13.6337 ± 0.0006 Å
• c: 19.15 ± 0.002 Å
• α: 104.166 ± 0.006°
• β: 94.444 ± 0.012°
• γ: 94.259 ± 0.007°
• Cell volume: 3240.1 ± 0.6 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: 0.0581
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.0982
• Weighted residual factors for all reflections included in the refinement: 0.1197
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No