Information card for entry 2018939

Structure parameters

• Chemical name: Diaqua(<i>N</i>,<i>N</i>'-dimethylformamide-κ<i>O</i>)bis[2-(diphenylphosphoryl)benzoato-κ<i>O</i>]copper(II)
• Formula: C41 H39 Cu N O9 P2
• Calculated formula: C41 H39 Cu N O9 P2
• Title of publication: A square-pyramidal copper(II) complex with strong intramolecular hydrogen bonds: diaqua(<i>N</i>,<i>N</i>'-dimethylformamide-κ<i>O</i>)bis[2-(diphenylphosphoryl)benzoato-κ<i>O</i>]copper(II)
• Authors of publication: Zhou, Mengbo; Song, Li; Niu, Feng; Shu, Kangying; Chai, Wenxiang
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 5
• Pages of publication: 463 - 466
• a: 19.0469 ± 0.0011 Å
• b: 8.7313 ± 0.0004 Å
• c: 23.608 ± 0.0015 Å
• α: 90°
• β: 100.45 ± 0.006°
• γ: 90°
• Cell volume: 3861 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0603
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for significantly intense reflections: 0.085
• Weighted residual factors for all reflections included in the refinement: 0.092
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes