Information card for entry 2018566

Structure parameters

• Chemical name: <i>catena</i>-poly[[[diaquabis(1-naphthoato-κ<i>O</i>)magnesium(II)]-μ-aqua] dihydrate]
• Formula: C22 H24 Mg O9
• Calculated formula: C22 H24 Mg O9
• SMILES: C(O[Mg]([OH2])(OC(=O)c1c2ccccc2ccc1)[OH2])(c1c2ccccc2ccc1)=O.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: 12.8896 ± 0.0004 Å
• b: 8.0048 ± 0.0002 Å
• c: 24.53 ± 0.0005 Å
• α: 90°
• β: 121.19 ± 0.001°
• γ: 90°
• Cell volume: 2165.13 ± 0.1 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• 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: 0.1395
• Residual factor for significantly intense reflections: 0.0587
• Weighted residual factors for significantly intense reflections: 0.1201
• Weighted residual factors for all reflections included in the refinement: 0.1497
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes