Information card for entry 4323244

Structure parameters

• Formula: C29 H38 B Cl6 N12 O2 Re
• Calculated formula: C29 H38 B Cl6 N12 O2 Re
• SMILES: [Re]1(=O)(=O)([n]2n(ccc2)[B](n2[n]1ccc2)(n1nccc1)n1nccc1)([n]1ccc(N(C)C)cc1)[n]1ccc(N(C)C)cc1.ClCCl.ClCCl.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: 10.907 ± 0.002 Å
• b: 11.113 ± 0.001 Å
• c: 16.922 ± 0.002 Å
• α: 97.91 ± 0.01°
• β: 102.37 ± 0.01°
• γ: 94.21 ± 0.01°
• Cell volume: 1973.2 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0388
• Residual factor for significantly intense reflections: 0.0311
• Weighted residual factors for all reflections: 0.0787
• Weighted residual factors for significantly intense reflections: 0.0721
• Goodness-of-fit parameter for all reflections: 1.08
• Goodness-of-fit parameter for significantly intense reflections: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No