Information card for entry 7125080

Structure parameters

• Formula: C27 H28 Cl2 N6 Ni O8
• Calculated formula: C27 H28 Cl2 N6 Ni O8
• Title of publication: Efficient electro/photocatalytic water reduction using a [Ni^II(N₂Py₃)]²⁺ complex.
• Authors of publication: Kankanamalage, Pavithra H. A.; Mazumder, Shivnath; Tiwari, Vishwas; Kpogo, Kenneth K.; Bernhard Schlegel, H.; Verani, Cláudio N
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 91
• Pages of publication: 13357 - 13360
• a: 9.5286 ± 0.0008 Å
• b: 17.004 ± 0.0014 Å
• c: 17.9431 ± 0.0015 Å
• α: 90°
• β: 96.744 ± 0.003°
• γ: 90°
• Cell volume: 2887.1 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.1 K
• Number of distinct elements: 6
• 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: 0.0622
• Residual factor for significantly intense reflections: 0.0517
• Weighted residual factors for significantly intense reflections: 0.1222
• Weighted residual factors for all reflections included in the refinement: 0.1286
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No