Information card for entry 7052290

Structure parameters

• Formula: C14 H14 B2 N2 O12 Pt
• Calculated formula: C14 H14 B2 N2 O12 Pt
• SMILES: C1(=O)C(=O)O[Pt]2(O1)OC(=O)C(=O)O2.c1(cc[nH+]cc1)B(O)O.B(c1cc[nH+]cc1)(O)O
• Title of publication: Pyridinium boronic acid salts in crystal synthesis
• Authors of publication: Kara, Hulya; Adams, Christopher J.; Orpen, A. Guy; Podesta, Thomas J.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2006
• Journal volume: 30
• Journal issue: 10
• Pages of publication: 1461
• a: 3.6754 ± 0.0006 Å
• b: 10.5135 ± 0.0017 Å
• c: 12.215 ± 0.002 Å
• α: 102.091 ± 0.002°
• β: 96.403 ± 0.003°
• γ: 98.557 ± 0.002°
• Cell volume: 451.4 ± 0.13 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0218
• Residual factor for significantly intense reflections: 0.0218
• Weighted residual factors for significantly intense reflections: 0.0467
• Weighted residual factors for all reflections included in the refinement: 0.0468
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No