Information card for entry 7027328

Structure parameters

• Formula: C34 H37 B2 Cl2 N4 O4 Re
• Calculated formula: C34 H37 B2 Cl2 N4 O4 Re
• SMILES: [Re]12(=O)(OC)([O](C)[B](n3[n]1ccc3)(c1ccccc1)c1ccccc1)[O](C)B(n1[n]2ccc1)(c1ccccc1)c1ccccc1.ClCCl
• Title of publication: Rhenium-(III) and -(V) hydride complexes with modified poly(pyrazolyl)borates
• Authors of publication: Paulo, António; Ascenso, José; Domingos, Ângela; Galvão, Adelino; Santos, Isabel
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1999
• Journal issue: 8
• Pages of publication: 1293
• a: 11.274 ± 0.001 Å
• b: 13.007 ± 0.001 Å
• c: 13.35 ± 0.001 Å
• α: 100.639 ± 0.007°
• β: 100.376 ± 0.008°
• γ: 108.309 ± 0.007°
• Cell volume: 1766.1 ± 0.3 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: 0.0484
• Residual factor for significantly intense reflections: 0.0347
• Weighted residual factors for all reflections: 0.0838
• Weighted residual factors for significantly intense reflections: 0.0736
• Goodness-of-fit parameter for all reflections: 1.058
• Goodness-of-fit parameter for significantly intense reflections: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No