Information card for entry 7117247

Structure parameters

• Formula: C44 H42 Br1.81 Cl2.18 N6 Pd2
• Calculated formula: C44 H42 Br1.814 Cl2.186 N6 Pd2
• 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: 14.907 ± 0.0008 Å
• b: 15.9956 ± 0.0009 Å
• c: 18.4249 ± 0.001 Å
• α: 90°
• β: 99.438 ± 0.003°
• γ: 90°
• Cell volume: 4333.9 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0236
• Residual factor for significantly intense reflections: 0.021
• Weighted residual factors for significantly intense reflections: 0.0481
• Weighted residual factors for all reflections included in the refinement: 0.049
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No