Information card for entry 4116236

Structure parameters

• Formula: C11.5 H12.5 B Cl1.5 N4 O3 S2 Tc
• Calculated formula: C11.4915 H12.4915 B Cl1.4745 N4 O3 S2 Tc
• Title of publication: Re and Tc Complexes Containing B-H...M Agostic Interactions as Building Blocks for the Design of Radiopharmaceuticals
• Authors of publication: Raquel Garcia; António Paulo; Ângela Domingos; Isabel Santos; Kirstin Ortner; Roger Alberto
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2000
• Journal volume: 122
• Pages of publication: 11240 - 11241
• a: 7.1363 ± 0.0005 Å
• b: 11.5834 ± 0.0009 Å
• c: 22.942 ± 0.002 Å
• α: 83.739 ± 0.009°
• β: 82.477 ± 0.009°
• γ: 87.616 ± 0.009°
• Cell volume: 1868.2 ± 0.3 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0435
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for all reflections: 0.1043
• Weighted residual factors for significantly intense reflections: 0.1025
• Goodness-of-fit parameter for all reflections: 1.08
• Goodness-of-fit parameter for significantly intense reflections: 1.16
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No