Information card for entry 4308928

Structure parameters

• Formula: C14 H19 N4 O5 Re
• Calculated formula: C14 H19 N4 O5 Re
• SMILES: [Re]123(=O)(OC(=O)C(n4[n]2c(cc4C)C)n2[n]3c(cc2C)C)OCCO1
• Title of publication: Novel Rhenium(V) Oxo Complexes Containing Bis(pyrazol-1-yl)acetate and Bis(pyrazol-1-yl) Sulfonate as Tripodal N,N,O-heteroscorpionate Ligands
• Authors of publication: Marina Porchia; Grazia Papini; Carlo Santini; Giancarlo Gioia Lobbia; Maura Pellei; Francesco Tisato; Giuliano Bandoli; Alessandro Dolmella
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 4045 - 4054
• a: 7.274 ± 0.001 Å
• b: 8.618 ± 0.002 Å
• c: 12.82 ± 0.03 Å
• α: 89.91 ± 0.03°
• β: 80.86 ± 0.03°
• γ: 84.4 ± 0.03°
• Cell volume: 789.6 ± 1.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0406
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.0997
• Weighted residual factors for all reflections included in the refinement: 0.1006
• Goodness-of-fit parameter for all reflections included in the refinement: 1.143
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No