Information card for entry 1549445

Structure parameters

• Formula: C14 H4 N6 O17 Re2
• Calculated formula: C14 H4 N6 O17 Re2
• Title of publication: Complexes with 6-amino-5-nitroso-2-thiouracil and violuric acid derivatives containing the fac-ReI(CO)3 core: Synthesis, XRD structural and photoluminescence characterization
• Authors of publication: Illán-Cabeza, Nuria A.; García-García, Antonio R.; Moreno-Carretero, Miguel N.
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2011
• Journal volume: 366
• Journal issue: 1
• Pages of publication: 262
• a: 6.345 ± 0.0004 Å
• b: 8.881 ± 0.0011 Å
• c: 10.383 ± 0.0009 Å
• α: 98.159 ± 0.009°
• β: 91.828 ± 0.007°
• γ: 99.464 ± 0.007°
• Cell volume: 570.36 ± 0.1 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0513
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.1151
• Weighted residual factors for all reflections included in the refinement: 0.1207
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No