Information card for entry 7133304

Structure parameters

• Formula: C39 H51 Cl2 N2 P2
• Calculated formula: C39 H51 Cl2 N2 P2
• Title of publication: A neutral diphosphene radical: synthesis, electronic structure and white phosphorus activation.
• Authors of publication: Haberstroh, Jan; Taube, Clemens; Fidelius, Jannis; Schulz, Stephen; Israel, Noel; Dmitrieva, Evgenia; Gomila, Rosa M.; Frontera, Antonio; Wolf, Robert; Schwedtmann, Kai; Weigand, Jan J.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 65
• Pages of publication: 8537 - 8540
• a: 10.894 ± 0.0003 Å
• b: 11.6371 ± 0.0003 Å
• c: 17.3041 ± 0.0002 Å
• α: 86.498 ± 0.002°
• β: 73.235 ± 0.002°
• γ: 66.584 ± 0.002°
• Cell volume: 1923.91 ± 0.08 ų
• Cell temperature: 99.96 ± 0.12 K
• Ambient diffraction temperature: 99.96 ± 0.12 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0426
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for significantly intense reflections: 0.1139
• Weighted residual factors for all reflections included in the refinement: 0.1143
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No