Information card for entry 7240833

Structure parameters

• Formula: C105 H83 N21 Ni3 O19
• Calculated formula: C105 H83 N21 Ni3 O19
• 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: 13.466 ± 0.0006 Å
• b: 13.607 ± 0.0006 Å
• c: 13.7158 ± 0.0006 Å
• α: 97.812 ± 0.002°
• β: 103.166 ± 0.002°
• γ: 94.058 ± 0.002°
• Cell volume: 2410.88 ± 0.19 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0996
• Residual factor for significantly intense reflections: 0.0577
• Weighted residual factors for significantly intense reflections: 0.1301
• Weighted residual factors for all reflections included in the refinement: 0.1517
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No