Information card for entry 4324057

Structure parameters

• Formula: C31 H32 B2 Cl2 N20 O3 Re2
• Calculated formula: C31 H30 B2 Cl2 N20 O3 Re2
• SMILES: [Re]123(=O)(O[Re]4(=O)([n]5n(ccc5)[B](n5[n]4ccc5)(n4nccc4)n4nccc4)([n]4n1ccc4)[n]1n2ccc1)[n]1n(ccc1)[B](n1[n]3ccc1)(n1nccc1)n1nccc1.ClCCl
• 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: 11.086 ± 0.002 Å
• b: 15.269 ± 0.001 Å
• c: 12.133 ± 0.001 Å
• α: 90°
• β: 93.51 ± 0.01°
• γ: 90°
• Cell volume: 2049.9 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0371
• Residual factor for significantly intense reflections: 0.0299
• Weighted residual factors for all reflections: 0.0843
• Weighted residual factors for significantly intense reflections: 0.0741
• Goodness-of-fit parameter for all reflections: 1.074
• Goodness-of-fit parameter for significantly intense reflections: 1.066
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No