Information card for entry 4325937

Structure parameters

• Formula: C12 H18 B2 O7 Sr
• Calculated formula: C12 H18 B2 O7 Sr
• SMILES: [Sr+2].O[B](O)(O)c1ccccc1.O.O[B](O)(O)c1ccccc1
• Title of publication: Synthesis and Characterization of Crystalline Structures Based on Phenylboronate Ligands Bound to Alkaline Earth Cations
• Authors of publication: Marc Reinholdt; Jonas Croissant; Lidia Di Carlo; Dominique Granier; Philippe Gaveau; Sylvie Bégu; Jean-Marie Devoisselle; P. Hubert Mutin; Mark E. Smith; Christian Bonhomme; Christel Gervais; Arie van der Lee; Danielle Laurencin
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 7802 - 7810
• a: 6.21861 ± 0.00017 Å
• b: 7.9567 ± 0.0002 Å
• c: 30.7635 ± 0.0011 Å
• α: 90°
• β: 92.783 ± 0.003°
• γ: 90°
• Cell volume: 1520.37 ± 0.08 ų
• Cell temperature: 175 K
• Ambient diffraction temperature: 175 K
• Number of distinct elements: 5
• 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: 0.1007
• Residual factor for significantly intense reflections: 0.0927
• Weighted residual factors for all reflections: 0.0657
• Weighted residual factors for significantly intense reflections: 0.064
• Weighted residual factors for all reflections included in the refinement: 0.064
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9808
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No