Information card for entry 2018567

Structure parameters

• Chemical name: <i>catena</i>-poly[[diaquacalcium(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 Ca O6
• Calculated formula: C22 H18 Ca O6
• SMILES: C(=O)(c1c2c(cccc2)ccc1)[O-].[Ca+2].O.C(=O)(c1cccc2ccccc12)[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: 21.079 ± 0.001 Å
• b: 11.441 ± 0.0006 Å
• c: 7.72 ± 0.0003 Å
• α: 90°
• β: 93.994 ± 0.003°
• γ: 90°
• Cell volume: 1857.27 ± 0.15 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0556
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for significantly intense reflections: 0.0713
• Weighted residual factors for all reflections included in the refinement: 0.0773
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes