Information card for entry 4321654

Structure parameters

• Formula: C26 H39 B Cl N10 O3 Re Si
• Calculated formula: C26 H31 B Cl N10 O3 Re Si
• SMILES: [Re]1(Cl)(=O)(O[Si](C)(C)C)([n]2n(ccc2)[B](n2[n]1ccc2)(n1nccc1)n1nccc1)[n]1ccc(N(C)C)cc1.C1CCCO1
• Title of publication: Cationic Re(V) Oxo Complexes with Poly(pyrazolyl)borates: Synthesis, Characterization, and Stability
• Authors of publication: António Paulo; Ângela Domingos; Raquel Garcia; Isabel Santos
• Journal of publication: Inorganic Chemistry
• Year of publication: 2000
• Journal volume: 39
• Pages of publication: 5669 - 5674
• a: 8.7179 ± 0.0011 Å
• b: 12.5724 ± 0.0008 Å
• c: 17.75 ± 0.002 Å
• α: 70.454 ± 0.007°
• β: 77.935 ± 0.009°
• γ: 77.129 ± 0.008°
• Cell volume: 1768.1 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0577
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for all reflections: 0.1197
• Weighted residual factors for significantly intense reflections: 0.1011
• Goodness-of-fit parameter for all reflections: 1.089
• Goodness-of-fit parameter for significantly intense reflections: 1.096
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No