Information card for entry 7117248

Structure parameters

• Formula: C26 H29 Cl2 N3 Pd
• Calculated formula: C26 H29 Cl2 N3 Pd
• SMILES: [Pd](Cl)(Cl)([n]1ccccc1)=C1N(C=CN1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C
• 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: 11.5869 ± 0.0004 Å
• b: 14.0962 ± 0.0005 Å
• c: 15.7142 ± 0.0005 Å
• α: 90°
• β: 100.524 ± 0.002°
• γ: 90°
• Cell volume: 2523.45 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0395
• Residual factor for significantly intense reflections: 0.0288
• Weighted residual factors for significantly intense reflections: 0.0656
• Weighted residual factors for all reflections included in the refinement: 0.0708
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No