Information card for entry 7227433

Structure parameters

• Formula: C32 H32 N2 Ni O5
• Calculated formula: C32 H32 N2 Ni O5
• Title of publication: Single-crystal-to-single-crystal transformation of a coordination polymer from 2D to 3D by [2+2] photodimerization assisted with a coexisting flexible ligand
• Authors of publication: Lee, Jae Hwa; Park, Sungbin; Jeoung, Sungeun; Moon, Hoi Ri
• Journal of publication: CrystEngComm
• Year of publication: 2017
• a: 18.788 ± 0.004 Å
• b: 8.43 ± 0.0017 Å
• c: 18.868 ± 0.004 Å
• α: 90°
• β: 115.53 ± 0.03°
• γ: 90°
• Cell volume: 2696.6 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0683
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.1008
• Weighted residual factors for all reflections included in the refinement: 0.1107
• Goodness-of-fit parameter for all reflections included in the refinement: 0.975
• Diffraction radiation wavelength: 0.63 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No