Information card for entry 7119191

Structure parameters

• Formula: C26 H36 Ga I N4 O4
• Calculated formula: C26 H36 Ga I N4 O4
• Title of publication: 67Ga-metalloprobes: monitoring the impact of geometrical isomers on accumulation profiles in rat cardiomyoblasts and human breast carcinoma cells
• Authors of publication: Sivapackiam, Jothilingam; Harpstrite, Scott E.; Rath, Nigam P.; Sharma, Vijay
• Journal of publication: Med. Chem. Commun.
• Year of publication: 2017
• Journal volume: 8
• Journal issue: 1
• Pages of publication: 158
• a: 11.2699 ± 0.0009 Å
• b: 17.6804 ± 0.0014 Å
• c: 14.9326 ± 0.0012 Å
• α: 90°
• β: 109.088 ± 0.003°
• γ: 90°
• Cell volume: 2811.8 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0309
• Residual factor for significantly intense reflections: 0.0228
• Weighted residual factors for significantly intense reflections: 0.0505
• Weighted residual factors for all reflections included in the refinement: 0.0534
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No