Information card for entry 2014298

Structure parameters

• Chemical name: poly[[bis(1,10-phenanthroline)tris(μ~3~-1,4-phenylenediacetato)trinickel(II)] dihydrate]
• Formula: C54 H44 N4 Ni3 O14
• Calculated formula: C54 H44 N4 Ni3 O14
• Title of publication: A novel nickel(II) coordination polymer incorporating 1,4-phenylenediacetic acid and 1,10-phenanthroline
• Authors of publication: Chen, Zi-Lu; Zhang, Yu-Zhen; Liang, Fu-Pei
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 2
• Pages of publication: m48 - m50
• a: 10.708 ± 0.003 Å
• b: 11.172 ± 0.003 Å
• c: 12.448 ± 0.003 Å
• α: 107.126 ± 0.004°
• β: 101.059 ± 0.004°
• γ: 115.803 ± 0.003°
• Cell volume: 1189.3 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.056
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for significantly intense reflections: 0.0733
• Weighted residual factors for all reflections included in the refinement: 0.084
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No