Information card for entry 4321873

Structure parameters

• Common name: (34dtpabn)H6
• Chemical name: 2,12,19,29-tetraoxo-1,4,7,10,13,18,21,24,27,30-deca-aza-4,7,10,21,24,27- cyclotetratriacontanehexaacetic acid di-acetone
• Formula: C42 H74 N10 O18
• Calculated formula: C42 H74 N10 O18
• Title of publication: Binuclear Gd3+ Complex of a 34-Membered Macrocycle with Six Carboxymethyl Arms: X-ray Structures, Formation Constants, NMR, EPR, and 1H NMR Relaxivities
• Authors of publication: Michiko B. Inoue; Hisila Santacruz; Motomichi Inoue; Quintus Fernando
• Journal of publication: Inorganic Chemistry
• Year of publication: 1999
• Journal volume: 38
• Pages of publication: 1596 - 1602
• a: 14.566 ± 0.002 Å
• b: 10.968 ± 0.001 Å
• c: 16.133 ± 0.002 Å
• α: 90°
• β: 105.62 ± 0.01°
• γ: 90°
• Cell volume: 2482.2 ± 0.5 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.058
• Goodness-of-fit parameter for significantly intense reflections: 1.78
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No