Information card for entry 7128549

Structure parameters

• Formula: C16 H20 Cl2 F6 N4 Ni P
• Calculated formula: C16 H20 Cl2 F6 N4 Ni P
• Title of publication: Photoreductive chlorine elimination from a Ni(iii)Cl₂ complex supported by a tetradentate pyridinophane ligand.
• Authors of publication: Na, Hanah; Watson, Michael B.; Tang, Fengzhi; Rath, Nigam P.; Mirica, Liviu M.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 59
• Pages of publication: 7264 - 7267
• a: 12.9385 ± 0.0003 Å
• b: 12.1873 ± 0.0003 Å
• c: 12.986 ± 0.0003 Å
• α: 90°
• β: 101.514 ± 0.0015°
• γ: 90°
• Cell volume: 2006.5 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0711
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.1002
• Weighted residual factors for all reflections included in the refinement: 0.1129
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No