Information card for entry 7118044

Structure parameters

• Formula: C15 H36 N6 P4 Se4
• Calculated formula: C14.94 H34.86 N6 P4 Se4
• Title of publication: Steric C-N bond activation on the dimeric macrocycle [{P(μ-NR)}2(μ-NR)]2.
• Authors of publication: Shi, Yan X.; Liang, Rong Z.; Martin, Katherine A.; Star, Daniel G.; Díaz, Jesús; Li, Xin Y.; Ganguly, Rakesh; García, Felipe
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2015
• Journal volume: 51
• Journal issue: 92
• Pages of publication: 16468 - 16471
• a: 13.8909 ± 0.0011 Å
• b: 15.9194 ± 0.0013 Å
• c: 13.2049 ± 0.0011 Å
• α: 90°
• β: 90.007 ± 0.003°
• γ: 90°
• Cell volume: 2920.1 ± 0.4 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1665
• Residual factor for significantly intense reflections: 0.0769
• Weighted residual factors for significantly intense reflections: 0.2078
• Weighted residual factors for all reflections included in the refinement: 0.2539
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No