Information card for entry 7700735

Structure parameters

• Chemical name: Triclinic
• Formula: C45 H55 B F15 N3 Ni O P2
• Calculated formula: C45 H55 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: 9.383 ± 0.0012 Å
• b: 15.396 ± 0.002 Å
• c: 18.138 ± 0.002 Å
• α: 83.562 ± 0.004°
• β: 87.383 ± 0.004°
• γ: 86.027 ± 0.004°
• Cell volume: 2595.5 ± 0.6 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0455
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.1008
• Weighted residual factors for all reflections included in the refinement: 0.1051
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No