Information card for entry 7102425

Structure parameters

• Formula: C104.5 H117.75 F12 N9.25 Ni O8 P2
• Calculated formula: C104.52 H117.78 F12.03 N9.26 Ni O7.9825 P2.005
• Title of publication: Inherent helicity in an extended tris-bipyridyl molecular cage.
• Authors of publication: Perkins, David F; Lindoy, Leonard F; Meehan, George V; Turner, Peter
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2004
• Journal issue: 2
• Pages of publication: 152 - 153
• a: 15.9763 ± 0.0019 Å
• b: 15.9763 ± 0.0019 Å
• c: 51.131 ± 0.009 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 11302 ± 3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 147
• Hermann-Mauguin space group symbol: P -3
• Hall space group symbol: -P 3
• Residual factor for all reflections: 0.1069
• Residual factor for significantly intense reflections: 0.0756
• Weighted residual factors for significantly intense reflections: 0.2061
• Weighted residual factors for all reflections included in the refinement: 0.2426
• 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: Yes
• Has Fobs: No