Information card for entry 7700730

Structure parameters

• Formula: C45 H53 B F15 N3 Ni O P2
• Calculated formula: C45 H53 B F15 N3 Ni O P2
• Title of publication: Interrogating the steric outcome during H₂ heterolysis: in-plane steric effects in the regioselective protonation of the PN³P-pincer ligand.
• Authors of publication: Yao, Changguang; Zhang, Tonghuan; Zhou, Chunhui; Huang, Kuo-Wei
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 34
• Pages of publication: 12817 - 12821
• a: 19.7743 ± 0.0019 Å
• b: 13.4867 ± 0.0013 Å
• c: 20.419 ± 0.002 Å
• α: 90°
• β: 118.011 ± 0.005°
• γ: 90°
• Cell volume: 4807.6 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• 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: 0.0452
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.0898
• Weighted residual factors for all reflections included in the refinement: 0.096
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No