Information card for entry 4339555

Structure parameters

• Formula: C45 H69 In N4 O16.5 P
• Calculated formula: C45 H67 In N4 O16.5 P
• Title of publication: Synthesis and structural characterization of complexes of a DO3A-conjugated triphenylphosphonium cation with diagnostically important metal ions.
• Authors of publication: Yang, Chang-Tong; Li, Yongxin; Liu, Shuang
• Journal of publication: Inorganic chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 21
• Pages of publication: 8988 - 8997
• a: 10.7779 ± 0.0009 Å
• b: 16.304 ± 0.0017 Å
• c: 16.452 ± 0.0018 Å
• α: 103.482 ± 0.006°
• β: 106.939 ± 0.005°
• γ: 104.783 ± 0.006°
• Cell volume: 2521.9 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0844
• Residual factor for significantly intense reflections: 0.0555
• Weighted residual factors for significantly intense reflections: 0.1353
• Weighted residual factors for all reflections included in the refinement: 0.1606
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No