Information card for entry 4321529

Structure parameters

• Formula: C39 H55 N2 O5 P Re S
• Calculated formula: C39 H49 N2 O5 P Re S
• Title of publication: Oxorhenium Phosphinophenolato Complexes with Model Peptide Fragments: Synthesis, Characterization, and Stability Considerations
• Authors of publication: Berthold Nock; Theodosia Maina; Francesco Tisato; Catherine P. Raptopoulou; Aris Terzis; Efstratios Chiotellis
• Journal of publication: Inorganic Chemistry
• Year of publication: 2000
• Journal volume: 39
• Pages of publication: 5197 - 5202
• a: 8.91 ± 0.003 Å
• b: 23.466 ± 0.008 Å
• c: 19.114 ± 0.008 Å
• α: 90°
• β: 89.99 ± 0.01°
• γ: 90°
• Cell volume: 3996 ± 3 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0579
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for all reflections: 0.1002
• Weighted residual factors for significantly intense reflections: 0.0918
• Goodness-of-fit parameter for all reflections: 1.186
• Goodness-of-fit parameter for significantly intense reflections: 1.223
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No