Information card for entry 4313158

Structure parameters

• Formula: C25 H57 Cl2 N5 Ni O9
• Calculated formula: C25 H55 Cl2 N5 Ni O9
• SMILES: [Ni]123[NH]4CN(CCCCCCCCCCCCCCCC)C[NH]3CC[NH]2CCC[NH]1CC4.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].O
• Title of publication: Nickel(II) Macrocyclic Complexes with Long Alkyl Pendant Chain: Synthesis, X-ray Structure, and Anion Exchange Property in the Solid State
• Authors of publication: Hye Jin Choi; Myunghyun Paik Suh
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 1151 - 1157
• a: 8.333 ± 0.004 Å
• b: 8.356 ± 0.003 Å
• c: 28.374 ± 0.009 Å
• α: 81.865 ± 0.019°
• β: 86.242 ± 0.018°
• γ: 63.871 ± 0.017°
• Cell volume: 1755.9 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1553
• Residual factor for significantly intense reflections: 0.0851
• Weighted residual factors for significantly intense reflections: 0.2144
• Weighted residual factors for all reflections included in the refinement: 0.247
• Goodness-of-fit parameter for all reflections included in the refinement: 0.983
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No