Information card for entry 7030950

Structure parameters

• Formula: C78 H74 N16 Ni3 O34
• Calculated formula: C78 H74 N16 Ni3 O34
• Title of publication: Metal ions and solvents ratio co-regulate four new magnetic coordination polymers based upon an unsymmetric tricarboxylate acid ligand.
• Authors of publication: Li, Yuan-Pu; Chai, Ying; Yang, Guo-Ping; Miao, Hui-Hui; Cui, Lin; Wang, Yao-Yu; Shi, Qi-Zhen
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 28
• Pages of publication: 10947 - 10955
• a: 13.683 ± 0.002 Å
• b: 23.839 ± 0.004 Å
• c: 14.576 ± 0.002 Å
• α: 90°
• β: 99.745 ± 0.004°
• γ: 90°
• Cell volume: 4685.9 ± 1.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.1828
• Residual factor for significantly intense reflections: 0.089
• Weighted residual factors for significantly intense reflections: 0.2193
• Weighted residual factors for all reflections included in the refinement: 0.2808
• Goodness-of-fit parameter for all reflections included in the refinement: 1.153
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No