Information card for entry 4339554

Structure parameters

• Formula: C43 H64 Ga N5 O16 P
• Calculated formula: C43 H51 Ga N5 O16 P
• SMILES: [Ga]12OC(=O)C[N]32CCN(CCN(CCN(CC3)CC(=O)[O-])CC(=O)O1)Cc1ccc(cc1)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.O.O.O.O.O.O.O=N(=O)[O-].O=C(C)C
• 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: 28.9585 ± 0.0009 Å
• b: 8.1509 ± 0.0001 Å
• c: 19.6548 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4639.3 ± 0.2 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.061
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.094
• Weighted residual factors for all reflections included in the refinement: 0.1
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MO-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No