Information card for entry 7241215

Structure parameters

• Formula: C39 H42 N6 Ni O11.5
• Calculated formula: C39 H42 N6 Ni O11.5
• 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: 31.829 ± 0.003 Å
• b: 9.6745 ± 0.001 Å
• c: 25.802 ± 0.003 Å
• α: 90°
• β: 110.736 ± 0.006°
• γ: 90°
• Cell volume: 7430.5 ± 1.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0775
• Residual factor for significantly intense reflections: 0.0524
• Weighted residual factors for significantly intense reflections: 0.1265
• Weighted residual factors for all reflections included in the refinement: 0.1394
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No