Information card for entry 4514924

Structure parameters

• Formula: C38.51 H46.04 B18 Cl18 O2.49 P2 Pd2
• Calculated formula: C38.51 H46.04 B18 Cl18 O2.49 P2 Pd2
• Title of publication: Characterization of Reactive Organometallic Species via MicroED.
• Authors of publication: Jones, Christopher G.; Asay, Matthew; Kim, Lee Joon; Kleinsasser, Jack F.; Saha, Ambarneil; Fulton, Tyler J.; Berkley, Kevin R.; Cascio, Duilio; Malyutin, Andrey G.; Conley, Matthew P.; Stoltz, Brian M.; Lavallo, Vincent; Rodríguez, José A; Nelson, Hosea M.
• Journal of publication: ACS central science
• Year of publication: 2019
• Journal volume: 5
• Journal issue: 9
• Pages of publication: 1507 - 1513
• a: 15.4952 ± 0.0004 Å
• b: 15.2588 ± 0.0004 Å
• c: 27.3371 ± 0.0007 Å
• α: 90°
• β: 91.4479 ± 0.0012°
• γ: 90°
• Cell volume: 6461.5 ± 0.3 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0438
• Residual factor for significantly intense reflections: 0.0313
• Weighted residual factors for significantly intense reflections: 0.0644
• Weighted residual factors for all reflections included in the refinement: 0.0702
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No