Information card for entry 7118041

Structure parameters

• Formula: C21 H42 N7 P4 Se4
• Calculated formula: C21 H42 N7 P4 Se4
• SMILES: C(C)(C)(C)N1[P@]2(N[P@@]1(NP1(N(C(C)(C)C)P(N1C(C)(C)C)(N2)=[Se])=[Se])=[Se])=[Se].c1(ccccc1)C.CNC
• 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: 10.546 ± 0.0004 Å
• b: 12.3897 ± 0.0005 Å
• c: 14.0003 ± 0.0006 Å
• α: 78.264 ± 0.002°
• β: 70.648 ± 0.002°
• γ: 75.644 ± 0.002°
• Cell volume: 1657.28 ± 0.12 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 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: 0.0727
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.1152
• Weighted residual factors for all reflections included in the refinement: 0.1477
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No