Information card for entry 4304274

Structure parameters

• Formula: C32 H32 Cl2 N10 Ni2 O10
• Calculated formula: C32 H32 Cl2 N10 Ni2 O10
• SMILES: [Ni]12345[N](CCC[N]6[Ni]7([n]8ccccc8C=6)([N](CCC[N]3=Cc3[n]2cccc3)=Cc2[n]7cccc2)([N]4=C=O)[N]5=C=O)=Cc2[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: 19.6226 ± 0.0003 Å
• b: 13.3588 ± 0.0003 Å
• c: 14.901 ± 0.0003 Å
• α: 90°
• β: 111.616 ± 0.001°
• γ: 90°
• Cell volume: 3631.37 ± 0.13 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0922
• Residual factor for significantly intense reflections: 0.0837
• Weighted residual factors for significantly intense reflections: 0.222
• Weighted residual factors for all reflections included in the refinement: 0.2342
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No