Information card for entry 7241214

Structure parameters

• Formula: C33 H38 N4 Ni O9
• Calculated formula: C33 H38 N4 Ni O9
• Title of publication: Structural Diversity and Modification in Ni(II) Coordination Polymers: Peculiar Phenomenon of Reversible Structural Transformation between 1D Ladder and 2D Layer
• Authors of publication: Chen, Chia-Jou; Lee, Wei-Te; Hu, Ji-Hong; Mahat Chhetri, Pradhumna; Chen, Jhy-Der
• Journal of publication: CrystEngComm
• Year of publication: 2020
• a: 14.5085 ± 0.0005 Å
• b: 16.3024 ± 0.0005 Å
• c: 15.659 ± 0.0005 Å
• α: 90°
• β: 113.583 ± 0.002°
• γ: 90°
• Cell volume: 3394.4 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1395
• Residual factor for significantly intense reflections: 0.0694
• Weighted residual factors for significantly intense reflections: 0.1721
• Weighted residual factors for all reflections included in the refinement: 0.2023
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No