Information card for entry 7227434

Structure parameters

• Formula: C64 H64 N4 Ni2 O10
• Calculated formula: C64 H64 N4 Ni2 O10
• 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: 21.313 ± 0.004 Å
• b: 8.508 ± 0.0017 Å
• c: 30.83 ± 0.006 Å
• α: 90°
• β: 94.27 ± 0.03°
• γ: 90°
• Cell volume: 5574.9 ± 1.9 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1578
• Residual factor for significantly intense reflections: 0.0774
• Weighted residual factors for significantly intense reflections: 0.2061
• Weighted residual factors for all reflections included in the refinement: 0.25
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.7 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No