Information card for entry 7704093

Structure parameters

• Common name: [nitratotris{(4,4-dimethyloxazolin-2-yl)methyl}aminenickel(II)]tetraphenylborate bisdichloromethane
• Chemical name: [Ni(TOAMe2)(NO3)](BPh4)2CH2Cl2
• Formula: C44 H54 B Cl4 N5 Ni O6
• Calculated formula: C44 H54 B Cl4 N5 Ni O6
• Title of publication: Efficient alkane hydroxylation catalysis of nickel(ii) complexes with oxazoline donor containing tripodal tetradentate ligands.
• Authors of publication: Terao, Ikumi; Horii, Sena; Nakazawa, Jun; Okamura, Masaya; Hikichi, Shiro
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 18
• Pages of publication: 6108 - 6118
• a: 14.544 ± 0.005 Å
• b: 11.405 ± 0.004 Å
• c: 28.205 ± 0.01 Å
• α: 90°
• β: 102.024 ± 0.004°
• γ: 90°
• Cell volume: 4576 ± 3 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0807
• Residual factor for significantly intense reflections: 0.0661
• Weighted residual factors for significantly intense reflections: 0.1825
• Weighted residual factors for all reflections included in the refinement: 0.1974
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No