Information card for entry 7013378

Structure parameters

• Formula: C50 H80 B2 N16 Ni O2 Pd
• Calculated formula: C50 H73 B2 N16 Ni O2 Pd
• Title of publication: Interaction of hydroperoxopalladium complexes, (TpR)(py)Pd?OOH, with hydroxo-nickel and -cobalt complexes, [(�-OH)(MTpR?)]2 (M = Ni, Co), leading to oxidative dehydrogenation of the saturated hydrocarbyl moiety in the ancillary ligand (TpiPr2)Electronic supplementary information (ESI) available: Fig. 4: 1H NMR monitoring of the reaction of 2iPr2 and 4iPr2(Ni) at ?20 �C. See http://www.rsc.org/suppdata/dt/b3/b307262m/
• Authors of publication: Kujime, Masato; Hikichi, Shiro; Akita, Munetaka
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 18
• Pages of publication: 3506
• a: 13.254 ± 0.001 Å
• b: 21.125 ± 0.002 Å
• c: 12.1299 ± 0.0008 Å
• α: 101.662 ± 0.004°
• β: 112.767 ± 0.003°
• γ: 89.006 ± 0.005°
• Cell volume: 3060 ± 0.4 ų
• Cell temperature: 213.2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0786
• Weighted residual factors for all reflections included in the refinement: 0.2083
• Goodness-of-fit parameter for all reflections included in the refinement: 1.217
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No