Information card for entry 4505236

Structure parameters

• Formula: C78 H106 N6 Ni2 O37
• Calculated formula: C78 H60 N6 Ni2 O36.96
• Title of publication: Two-Dimensional Noninterpenetrating Transition Metal Coordination Polymers with Large Honeycomb-like Hexagonal Cavities Constructed from a Carboxybenzyl Viologen Ligand
• Authors of publication: Sun, Yan-Qiong; Zhang, Jie; Ju, Zhan-Feng; Yang, Guo-Yu
• Journal of publication: Crystal Growth & Design
• Year of publication: 2005
• Journal volume: 5
• Journal issue: 5
• Pages of publication: 1939
• a: 17.562 ± 0.003 Å
• b: 17.562 ± 0.003 Å
• c: 26.71 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 7134 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0806
• Residual factor for significantly intense reflections: 0.0769
• Weighted residual factors for significantly intense reflections: 0.2152
• Weighted residual factors for all reflections included in the refinement: 0.2205
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No