Information card for entry 7133305

Structure parameters

• Formula: C88 H126 Cl4 N4 O2 P4
• Calculated formula: C88 H126 Cl4 N4 O2 P4
• 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: 14.6385 ± 0.0001 Å
• b: 34.7552 ± 0.0003 Å
• c: 18.1897 ± 0.0002 Å
• α: 90°
• β: 109.167 ± 0.001°
• γ: 90°
• Cell volume: 8741.26 ± 0.15 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 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: 0.0455
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for significantly intense reflections: 0.093
• Weighted residual factors for all reflections included in the refinement: 0.0954
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No