Information card for entry 4101706

Structure parameters

• Formula: C43 H34 Cl4 F4 N4 O6 P2 Re2
• Calculated formula: C42.9 H34 Cl4 F4 N4 O5.9 P2 Re2
• Title of publication: Metal template controlled formation of [11]ane-P2C(NHC) macrocycles.
• Authors of publication: Kaufhold, Oliver; Stasch, Andreas; Pape, Tania; Hepp, Alexander; Edwards, Peter G.; Newman, Paul D.; Hahn, F. Ekkehardt
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Journal issue: 1
• Pages of publication: 306 - 317
• a: 11.465 ± 0.002 Å
• b: 11.577 ± 0.002 Å
• c: 18.72 ± 0.004 Å
• α: 91.16 ± 0.03°
• β: 103.05 ± 0.03°
• γ: 104.05 ± 0.03°
• Cell volume: 2340.7 ± 0.9 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0393
• Residual factor for significantly intense reflections: 0.0308
• Weighted residual factors for significantly intense reflections: 0.0625
• Weighted residual factors for all reflections included in the refinement: 0.0658
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No