Information card for entry 7125326

Structure parameters

• Chemical name: [Fe(PTB)Br3][NEt4]2
• Formula: C40 H57 B Br3 Fe N2 P
• Calculated formula: C40 H57 B Br3 Fe N2 P
• Title of publication: Fusing triphenylphosphine with tetraphenylborate: introducing the 9-phosphatriptycene-10-phenylborate (PTB) anion.
• Authors of publication: Drover, Marcus W.; Nagata, Koichi; Peters, Jonas C.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 57
• Pages of publication: 7916 - 7919
• a: 13.5457 ± 0.0011 Å
• b: 16.1351 ± 0.0013 Å
• c: 18.6839 ± 0.0015 Å
• α: 90°
• β: 95.303 ± 0.004°
• γ: 90°
• Cell volume: 4066.1 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0432
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.0841
• Weighted residual factors for all reflections included in the refinement: 0.0885
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No