Information card for entry 4302194

Structure parameters

• Formula: C36 H35.5 Cl2 N7.5 Ni O13.5
• Calculated formula: C36 H29 Cl2 N7.5 Ni O13.5
• Title of publication: Ni(II)/H2O2 Reactivity in Bis[(pyridin-2-yl)methyl]amine Tridentate Ligand System. Aromatic Hydroxylation Reaction by Bis(μ-oxo)dinickel(III) Complex
• Authors of publication: Atsushi Kunishita; Yoshitaka Doi; Minoru Kubo; Takashi Ogura; Hideki Sugimoto; Shinobu Itoh
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 4997 - 5004
• a: 17.66 ± 0.012 Å
• b: 11.152 ± 0.007 Å
• c: 20.295 ± 0.011 Å
• α: 90°
• β: 98.86 ± 0.02°
• γ: 90°
• Cell volume: 3949 ± 4 ų
• Cell temperature: 153.1 K
• Number of distinct elements: 6
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/a 1
• Hall space group symbol: -P 2ya
• Residual factor for significantly intense reflections: 0.0577
• Weighted residual factors for all reflections included in the refinement: 0.0837
• Goodness-of-fit parameter for all reflections included in the refinement: 0.903
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No