Information card for entry 7208771

Structure parameters

• Formula: C34 H35.5 N6 Ni O6.25
• Calculated formula: C34 H35.5 N6 Ni O6.25
• Title of publication: A 2D→3D net with coexistence of polycatenation and polythreading constructed by long rigid and flexible ligands
• Authors of publication: Zhao, Fang-Hua; Che, Yun-Xia; Zheng, Ji-Min
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 20
• Pages of publication: 6397
• a: 31.956 ± 0.011 Å
• b: 13.755 ± 0.004 Å
• c: 16.234 ± 0.006 Å
• α: 90°
• β: 118.944 ± 0.003°
• γ: 90°
• Cell volume: 6244 ± 4 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 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: 0.0544
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.1142
• Weighted residual factors for all reflections included in the refinement: 0.1213
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No