Information card for entry 4304270

Structure parameters

• Formula: C28 H30 Cl2 N14 Ni2 O9
• Calculated formula: C28 H30 Cl2 N14 Ni2 O9
• SMILES: [Ni]12345[n]6ccccc6C=[N]2CC[N]2[Ni]6([n]7c(C=2)cccc7)([n]2ccccc2C=[N]6CC[N]3=Cc2[n]1cccc2)([N]4=N#N)[N]5=N#N.Cl(=O)(=O)(=O)[O-].Cl(=O)(=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: 19.88 ± 0.002 Å
• b: 13.2773 ± 0.0016 Å
• c: 14.2533 ± 0.0017 Å
• α: 90°
• β: 110.957 ± 0.0019°
• γ: 90°
• Cell volume: 3513.3 ± 0.7 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: 0.0944
• Residual factor for significantly intense reflections: 0.0682
• Weighted residual factors for significantly intense reflections: 0.1718
• Weighted residual factors for all reflections included in the refinement: 0.1964
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No