Information card for entry 7240831

Structure parameters

• Formula: C62 H44 N4 O18 Zn2
• Calculated formula: C62 H44 N4 O18 Zn2
• Title of publication: Structural Diversity, Magnetic Properties, or Luminescent Sensing Based Ni(II)/Zn(II) Coordination Polymers of the semirigid ligand of 3,3'-((5-car-boxy-1,3-phe-nylene)bis(oxy))diben¬zate
• Authors of publication: Yang, Dong-Dong; Lu, Liping; Zhu, Miaoli
• Journal of publication: CrystEngComm
• Year of publication: 2020
• a: 10.0734 ± 0.0003 Å
• b: 10.7439 ± 0.0003 Å
• c: 13.9706 ± 0.0004 Å
• α: 80.34 ± 0.001°
• β: 79.996 ± 0.001°
• γ: 64.717 ± 0.001°
• Cell volume: 1338.92 ± 0.07 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 ± 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: 0.0792
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.0878
• Weighted residual factors for all reflections included in the refinement: 0.1039
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No