Information card for entry 7008384

Structure parameters

• Formula: C28 H46 N6 O2 P4
• Calculated formula: C28 H46 N6 O2 P4
• Title of publication: Selection of the cis and trans phosph(III)azane macrocycles [{P(mu-NtBu)}2(1-Y-2-NH-C6H4)]2(Y=O, S).
• Authors of publication: Garcia, Felipe; Goodman, Jonathan M.; Kowenicki, Richard A.; McPartlin, Mary; Riera, Lucia; Silva, Maria A.; Wirsing, Andreas; Wright, Dominic S.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2005
• Journal issue: 10
• Pages of publication: 1764 - 1773
• a: 8.8275 ± 0.0018 Å
• b: 10.307 ± 0.002 Å
• c: 10.362 ± 0.002 Å
• α: 68.1 ± 0.03°
• β: 73.4 ± 0.03°
• γ: 75 ± 0.03°
• Cell volume: 825.9 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0714
• Residual factor for significantly intense reflections: 0.0628
• Weighted residual factors for significantly intense reflections: 0.1728
• Weighted residual factors for all reflections included in the refinement: 0.1754
• Goodness-of-fit parameter for all reflections included in the refinement: 1.202
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No