Information card for entry 4344591

Structure parameters

• Formula: C71.67 H103.96 Cl3.67 F12 N8 Ni2 O2.17 Sb2
• Calculated formula: C71.66 H103.948 Cl3.66 F12 N8 Ni2 O2.17 Sb2
• Title of publication: Geometric and Electronic Structures of Nickel(II) Complexes of Redox Noninnocent Tetradentate Phenylenediamine Ligands.
• Authors of publication: Ciccione, Jérémie; Leconte, Nicolas; Luneau, Dominique; Philouze, Christian; Thomas, Fabrice
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 2
• Pages of publication: 649 - 665
• a: 42.949 ± 0.009 Å
• b: 16.025 ± 0.003 Å
• c: 26.266 ± 0.005 Å
• α: 90°
• β: 102.82 ± 0.03°
• γ: 90°
• Cell volume: 17627 ± 6 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 8
• 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: 0.1308
• Residual factor for significantly intense reflections: 0.082
• Weighted residual factors for significantly intense reflections: 0.2196
• Weighted residual factors for all reflections included in the refinement: 0.2685
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No