Information card for entry 7125327

Structure parameters

• Chemical name: PTBCo(Br)(NCMe)2(NEt4)
• Formula: C70 H93 B2 Br Co N8 P2
• Calculated formula: C70 H96 B2 Br Co N8 P2
• 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: 25.9634 ± 0.0018 Å
• b: 17.706 ± 0.0013 Å
• c: 29.773 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 13686.9 ± 1.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 64
• Hermann-Mauguin space group symbol: C m c e
• Hall space group symbol: -C 2ac 2
• Residual factor for all reflections: 0.23
• Residual factor for significantly intense reflections: 0.173
• Weighted residual factors for significantly intense reflections: 0.4104
• Weighted residual factors for all reflections included in the refinement: 0.457
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No