Information card for entry 4323245

Structure parameters

• Formula: C19 H30 B Cl2 N8 O2 P2 Re
• Calculated formula: C19 H28 B Cl2 N8 O2 P2 Re
• SMILES: [Re]12([P](CC[P]1(C)C)(C)C)(=O)(=O)[n]1n(ccc1)[B](n1[n]2ccc1)(n1nccc1)n1nccc1.ClCCl
• Title of publication: Neutral trans-Dioxorhenium(V) Complexes with the Anionic Tetrakis(pyrazolyl)borate Ligand
• Authors of publication: António Paulo; K. Rajender Reddy; Ângela Domingos; Isabel Santos
• Journal of publication: Inorganic Chemistry
• Year of publication: 1998
• Journal volume: 37
• Pages of publication: 6807 - 6813
• a: 19.413 ± 0.001 Å
• b: 19.413 ± 0.001 Å
• c: 32.193 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 12132.4 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.1434
• Residual factor for significantly intense reflections: 0.0756
• Weighted residual factors for all reflections: 0.2513
• Weighted residual factors for significantly intense reflections: 0.1896
• Goodness-of-fit parameter for all reflections: 1.108
• Goodness-of-fit parameter for significantly intense reflections: 1.184
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No