Information card for entry 1571202

Structure parameters

• Chemical name: mds322
• Formula: C49 H40 Br4 N9 Ni2 O P2
• Calculated formula: C49 H40 Br4 N9 Ni2 O P2
• Title of publication: Electrosynthesis of iminophosphoranes and applications in nickel catalysis.
• Authors of publication: Mdluli, Velabo; Lehnherr, Dan; Lam, Yu-Hong; Chaudhry, Mohammad T.; Newman, Justin A.; DaSilva, Jimmy O.; Regalado, Erik L.
• Journal of publication: Chemical science
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 16
• Pages of publication: 5980 - 5992
• a: 12.0937 ± 0.0003 Å
• b: 27.134 ± 0.0006 Å
• c: 15.1168 ± 0.0003 Å
• α: 90°
• β: 104.658 ± 0.002°
• γ: 90°
• Cell volume: 4799.14 ± 0.19 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.0663
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.1131
• Weighted residual factors for all reflections included in the refinement: 0.1196
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No