Information card for entry 2018569

Structure parameters

• Chemical name: <i>catena</i>-poly[[diaquabarium(II)]-bis(μ-1-naphthoato)- κ^3^<i>O</i>,<i>O</i>':<i>O</i>;κ^3^<i>O</i>:<i>O</i>,<i>O</i>']
• Formula: C22 H18 Ba O6
• Calculated formula: C22 H18 Ba O6
• SMILES: c1(cccc2c1cccc2)C(=O)[O-].[Ba+2].O.c1(cccc2c1cccc2)C(=O)[O-].O
• Title of publication: Alkaline earth metal salts of 1-naphthoic acid
• Authors of publication: Arlin, Jean-Baptiste; Kennedy, Alan R.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 8
• Pages of publication: m213 - m218
• a: 20.464 ± 0.003 Å
• b: 11.9699 ± 0.0015 Å
• c: 8.2812 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2028.5 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0429
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for significantly intense reflections: 0.1243
• Weighted residual factors for all reflections included in the refinement: 0.1259
• Goodness-of-fit parameter for all reflections included in the refinement: 1.141
• Diffraction radiation wavelength: 0.8252 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes