Information card for entry 7007826

Structure parameters

• Formula: C22 H30 N8 O7 Re2 S2
• Calculated formula: C22 H30 N8 O7 Re2 S2
• SMILES: [Re]123(SCC(=O)N3CC(=O)N2CCn2[n]1c(cc2C)C)=O.[Re]123(SCC(=O)N1CC(=O)N2CCn1[n]3c(cc1C)C)(=O)=O
• Title of publication: Rhenium(V) oxocomplexes with novel pyrazolyl-based N4- and N3S-donor chelators.
• Authors of publication: Moura, Carolina; Vítor, Rute F; Maria, Leonor; Paulo, António; Santos, Isabel C.; Santos, Isabel
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 47
• Pages of publication: 5630 - 5640
• a: 9.4388 ± 0.0002 Å
• b: 10.3213 ± 0.0003 Å
• c: 14.9377 ± 0.0003 Å
• α: 89.039 ± 0.001°
• β: 80.175 ± 0.001°
• γ: 89.297 ± 0.001°
• Cell volume: 1433.63 ± 0.06 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 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: 0.0586
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.0927
• Weighted residual factors for all reflections included in the refinement: 0.1073
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No