Information card for entry 1549443

Structure parameters

• Formula: C20 H16 Cl2 N9 O10 Re2 S2
• Calculated formula: C20 H16 Cl2 N9 O10 Re2 S2
• 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: 22.4101 ± 0.0019 Å
• b: 10.9538 ± 0.0009 Å
• c: 12.9703 ± 0.0005 Å
• α: 90°
• β: 100.001 ± 0.007°
• γ: 90°
• Cell volume: 3135.5 ± 0.4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0693
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.0644
• Weighted residual factors for all reflections included in the refinement: 0.0754
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No