Information card for entry 7114221

Structure parameters

• Formula: C44 H45 Fe3 N7
• Calculated formula: C44 H45 Fe3 N7
• Title of publication: Novel ferrocene-containing helical triangular macrocycle achieved via an exchange reaction
• Authors of publication: Dong, Guo; Gang, Han; Chun-ying, Duan; Ke-liang, Pang; Qing-jin, Meng
• Journal of publication: Chemical Communications
• Year of publication: 2002
• Journal issue: 10
• Pages of publication: 1096
• a: 13.59 ± 0.0019 Å
• b: 13.59 ± 0.0019 Å
• c: 37.595 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 6013.1 ± 1.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 167
• Hermann-Mauguin space group symbol: R -3 c :H
• Hall space group symbol: -R 3 2"c
• Residual factor for all reflections: 0.0836
• Residual factor for significantly intense reflections: 0.0539
• Weighted residual factors for significantly intense reflections: 0.1512
• Weighted residual factors for all reflections included in the refinement: 0.1612
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No