Information card for entry 7117244

Structure parameters

• Formula: C33 H43 Cl4 N3 Pd
• Calculated formula: C33 H43 Cl4 N3 Pd
• Title of publication: Two-step solid-state synthesis of PEPPSI-type compounds
• Authors of publication: Christopher J. Adams; Matteo Lusi; Emily M. Mutambi; A. Guy Orpen
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 9632
• a: 33.4882 ± 0.0019 Å
• b: 33.4882 ± 0.0019 Å
• c: 12.9635 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 14538 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.1009
• Residual factor for significantly intense reflections: 0.087
• Weighted residual factors for significantly intense reflections: 0.1848
• Weighted residual factors for all reflections included in the refinement: 0.1901
• Goodness-of-fit parameter for all reflections included in the refinement: 1.243
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No