Information card for entry 4500599

Structure parameters

• Formula: C74 H55 N14 Ni2 O21
• Calculated formula: C74 H50 N14 Ni2 O20.5
• Title of publication: Series of Coordination Polymers Based on Different Carboxylates and a Tri(4-imidazolylphenyl)amine Ligand: Entangled Structures and Photoluminescence
• Authors of publication: Wu, Hua; Liu, Hai-Yan; Yang, Jin; Liu, Bo; Ma, Jian-Fang; Liu, Ying-Ying; Liu, Yun-Yu
• Journal of publication: Crystal Growth & Design
• Year of publication: 2011
• Journal volume: 11
• Journal issue: 6
• Pages of publication: 2317
• a: 11.048 ± 0.0003 Å
• b: 11.563 ± 0.0004 Å
• c: 16.169 ± 0.0007 Å
• α: 76.974 ± 0.004°
• β: 89.733 ± 0.003°
• γ: 63.126 ± 0.004°
• Cell volume: 1783.8 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0664
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.1487
• Weighted residual factors for all reflections included in the refinement: 0.1565
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No