Information card for entry 4301188

Structure parameters

• Formula: C60 H57 Co3 F18 N18 O12 P3
• Calculated formula: C60 H45 Co3 F18 N18 O12 P3
• Title of publication: Metallohelical Triangles for Selective Detection of Adenosine Triphosphate in Aqueous Media
• Authors of publication: Hongmei Wu; Cheng He; Zhihua Lin; Yang Liu; Chunying Duan
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 408 - 410
• a: 18.28 ± 0.005 Å
• b: 18.28 ± 0.005 Å
• c: 90.71 ± 0.05 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 26251 ± 18 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.2005
• Residual factor for significantly intense reflections: 0.0814
• Weighted residual factors for significantly intense reflections: 0.1924
• Weighted residual factors for all reflections included in the refinement: 0.2092
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No