Information card for entry 7207818

Structure parameters

• Formula: C125 H134 N10 Ni5 O32
• Calculated formula: C125 H134 N10 Ni5 O32
• Title of publication: Two 2D →3D entangled coordination polymers with polycatenated and polythreaded features based on 44-sql layers
• Authors of publication: Xu, Xinxin; Zhang, Xia; Liu, Xiaoxia; Wang, Linshan; Wang, Enbo
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 9
• Pages of publication: 3264
• a: 27.312 ± 0.0005 Å
• b: 27.312 ± 0.0005 Å
• c: 34.5543 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 25775.6 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.1049
• Residual factor for significantly intense reflections: 0.0489
• Weighted residual factors for significantly intense reflections: 0.0957
• Weighted residual factors for all reflections included in the refinement: 0.1197
• Goodness-of-fit parameter for all reflections included in the refinement: 0.928
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No