Information card for entry 4306173

Structure parameters

• Formula: C21 H23 Cl2 N9 Ni O
• Calculated formula: C21 H23 Cl2 N9 Ni O
• Title of publication: First-Row Transition-Metal Complexes of a New Pentadentate Ligand, α,α,α',α'-Tetra(pyrazolyl)lutidine
• Authors of publication: Tyler J. Morin; Brian Bennett; Sergey V. Lindeman; James R. Gardinier
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 7468 - 7470
• a: 21.7305 ± 0.0007 Å
• b: 22.0929 ± 0.0008 Å
• c: 9.7949 ± 0.0004 Å
• α: 90°
• β: 90 ± 0.001°
• γ: 90°
• Cell volume: 4702.4 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0381
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.093
• Weighted residual factors for all reflections included in the refinement: 0.094
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No