Information card for entry 4324056

Structure parameters

• Formula: C34 H38 B2 N16 O7 Re2
• Calculated formula: C34 H38 B2 N16 O7 Re2
• SMILES: C1(=CC(=[O][Re]2(O[Re]34([n]5cccn5[B](n5[n]3ccc5)(n3nccc3)n3nccc3)(=O)[O]=C(C=C(O4)C)C)(=O)(O1)[n]1cccn1[B](n1[n]2ccc1)(n1cccn1)n1nccc1)C)C
• Title of publication: Coordination of Tetrakis(pyrazolyl)borate in Rhenium Complexes Containing the [ReVO]3+ Core
• Authors of publication: António Paulo; Ângela Domingos; Isabel Santos
• Journal of publication: Inorganic Chemistry
• Year of publication: 1996
• Journal volume: 35
• Pages of publication: 1798 - 1807
• a: 13.547 ± 0.002 Å
• b: 9.959 ± 0.001 Å
• c: 15.878 ± 0.002 Å
• α: 90°
• β: 102 ± 0.01°
• γ: 90°
• Cell volume: 2095.4 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1666
• Residual factor for significantly intense reflections: 0.0565
• Weighted residual factors for all reflections: 0.1631
• Weighted residual factors for significantly intense reflections: 0.1103
• Goodness-of-fit parameter for all reflections: 1.119
• Goodness-of-fit parameter for significantly intense reflections: 1.225
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No