Information card for entry 4304272

Structure parameters

• Formula: C56 H47 N12 Ni2 O0.75 S4
• Calculated formula: C56 H47 N12 Ni2 O0.75 S4
• 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: 12.8934 ± 0.0003 Å
• b: 14.1523 ± 0.0003 Å
• c: 15.5819 ± 0.0003 Å
• α: 92.488 ± 0.001°
• β: 90.289 ± 0.001°
• γ: 98.227 ± 0.001°
• Cell volume: 2811.15 ± 0.1 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 297 ± 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: 0.0854
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for significantly intense reflections: 0.1035
• Weighted residual factors for all reflections included in the refinement: 0.1256
• 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: Yes
• Has Fobs: No