Information card for entry 7046110

Structure parameters

• Formula: C100 H194 N18 P12 Se6
• Calculated formula: C100 H194 N18 P12 Se6
• Title of publication: Formation and selection of the macrocycle [{(^tBuN[double bond, length as m-dash])P(μ-N^tBu)}₂(μ-Se)₂{P(μ-N^tBu)}₂]₃.
• Authors of publication: Plajer, Alex J.; Niu, Hao-Che; Rizzuto, Felix J.; Wright, Dominic S.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 19
• Pages of publication: 6675 - 6678
• a: 13.853 ± 0.003 Å
• b: 17.29 ± 0.003 Å
• c: 28.76 ± 0.004 Å
• α: 75.917 ± 0.012°
• β: 84.957 ± 0.013°
• γ: 74.512 ± 0.012°
• Cell volume: 6437 ± 2 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 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: 0.0526
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for significantly intense reflections: 0.0975
• Weighted residual factors for all reflections included in the refinement: 0.1051
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No