Information card for entry 4304273

Structure parameters

• Formula: C54 H44 Cl2 N10 Ni2 O10
• Calculated formula: C54 H44 Cl2 N10 Ni2 O10
• SMILES: [Ni]12345[N](CC[N]6[Ni]7([n]8ccccc8C=6c6ccccc6)([N](CC[N]3=C(c3[n]2cccc3)c2ccccc2)=C(c2ccccc2)c2[n]7cccc2)([N]4=C=O)[N]5=C=O)=C(c2ccccc2)c2[n]1cccc2.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
• Title of publication: A Versatile Series of Nickel(II) Complexes Derived from Tetradentate Imine/Pyridyl Ligands and Various Pseudohalides: Azide and Cyanate Compared
• Authors of publication: Mohammad Habib; Tapan K. Karmakar; Guillem Aromí; Jordi Ribas-Ariño; Hoong-Kun Fun; Suchada Chantrapromma; Swapan K. Chandra
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 4109 - 4117
• a: 10.2354 ± 0.0007 Å
• b: 18.1502 ± 0.0013 Å
• c: 28.615 ± 0.002 Å
• α: 90°
• β: 99.168 ± 0.001°
• γ: 90°
• Cell volume: 5248 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.089
• Residual factor for significantly intense reflections: 0.0602
• Weighted residual factors for significantly intense reflections: 0.1601
• Weighted residual factors for all reflections included in the refinement: 0.2079
• Goodness-of-fit parameter for all reflections included in the refinement: 1.321
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No