Information card for entry 4322467

Structure parameters

• Formula: C15 H25 B2 N8 O2 Re Si
• Calculated formula: C15 H25 B2 N8 O2 Re Si
• SMILES: [Re]12(=O)(O[Si](C)(C)C)([n]3n([BH2]n4[n]1ccc4)ccc3)[n]1n([BH2]n3[n]2ccc3)ccc1
• Title of publication: Rhenium(V) Dioxo Complexes with Dihydrobis(pyrazolyl)borates: Synthesis and Reactivity toward Electrophilic Substrates
• Authors of publication: K. Rajender Reddy; Ângela Domingos; António Paulo; Isabel Santos
• Journal of publication: Inorganic Chemistry
• Year of publication: 1999
• Journal volume: 38
• Pages of publication: 4278 - 4282
• a: 10.785 ± 0.002 Å
• b: 17.68 ± 0.002 Å
• c: 11.971 ± 0.002 Å
• α: 90°
• β: 98.67 ± 0.01°
• γ: 90°
• Cell volume: 2256.5 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0366
• Residual factor for significantly intense reflections: 0.0257
• Weighted residual factors for all reflections: 0.0679
• Weighted residual factors for significantly intense reflections: 0.0577
• Goodness-of-fit parameter for all reflections: 0.961
• Goodness-of-fit parameter for significantly intense reflections: 0.898
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No