Information card for entry 2312832

Structure parameters

• Chemical name: Poly[diaqua[μ-4,4'-({2,2-bis[(pyridin-4-yloxy)methyl]propane-1,3-diyl}bis(oxy))dipyridine]bis(μ-naphthalene-1,4-dicarboxylato)dicobalt(II)]
• Formula: C49 H40 Co2 N4 O14
• Calculated formula: C49 H40 Co2 N4 O14
• Title of publication: Investigation into the third-order nonlinear optical properties of a three-dimensional cobalt(II) coordination polymer constructed from naphthalene-1,4-dicarboxylic acid and 4,4'-({2,2-bis[(pyridin-4-yloxy)methyl]propane-1,3-diyl}bis(oxy))dipyridine.
• Authors of publication: Lian, Zhaoxun; Zhao, Ning
• Journal of publication: Acta crystallographica. Section C, Structural chemistry
• Year of publication: 2025
• Journal volume: 81
• Journal issue: 6
• a: 26.428 ± 0.01 Å
• b: 17.871 ± 0.007 Å
• c: 9.627 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4547 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 52
• Hermann-Mauguin space group symbol: P n n a
• Hall space group symbol: -P 2a 2bc
• Residual factor for all reflections: 0.0505
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for significantly intense reflections: 0.0867
• Weighted residual factors for all reflections included in the refinement: 0.0944
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes