Information card for entry 7047548

Structure parameters

• Common name: [NiTPAP(CH3CN)][BF4]2
• Chemical name: [NiTPAP(CH3CN)][BF4]2
• Formula: C28 H36 B2 F8 N9 Ni P
• Calculated formula: C28 H36 B2 F8 N9 Ni P
• Title of publication: Adaptable ligand donor strength: tracking transannular bond interactions in tris(2-pyridylmethyl)-azaphosphatrane (TPAP).
• Authors of publication: Thammavongsy, Zachary; Cunningham, Drew W.; Sutthirat, Natwara; Eisenhart, Reed J.; Ziller, Joseph W.; Yang, Jenny Y.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 39
• Pages of publication: 14101 - 14110
• a: 9.0563 ± 0.0017 Å
• b: 20.118 ± 0.004 Å
• c: 18.435 ± 0.004 Å
• α: 90°
• β: 98.9026 ± 0.0017°
• γ: 90°
• Cell volume: 3318.3 ± 1.2 ų
• Cell temperature: 88 ± 2 K
• Ambient diffraction temperature: 88 ± 2 K
• Number of distinct elements: 7
• 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: 0.0583
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for significantly intense reflections: 0.1187
• Weighted residual factors for all reflections included in the refinement: 0.1267
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No