Information card for entry 4343087

Structure parameters

• Common name: [ReOPentaCOOEt]
• Formula: C30.25 H32 N4 O8.25 Re S
• Calculated formula: C30.25 H32 N4 O8.25 Re S
• Title of publication: Rhenium and Technetium Complexes with Pentadentate Thiocarbamoylbenzamidines: Steps toward Bioconjugation.
• Authors of publication: Nguyen, Hung Huy; Pham, Chien Thang; Abram, Ulrich
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 12
• Pages of publication: 5949 - 5959
• a: 9.949 ± 0.001 Å
• b: 10.98 ± 0.001 Å
• c: 16.796 ± 0.002 Å
• α: 100.54 ± 0.01°
• β: 92.32 ± 0.01°
• γ: 113.36 ± 0.01°
• Cell volume: 1642.9 ± 0.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.095
• Residual factor for significantly intense reflections: 0.0668
• Weighted residual factors for significantly intense reflections: 0.1695
• Weighted residual factors for all reflections included in the refinement: 0.1949
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No