Information card for entry 4513649

Structure parameters

• Chemical name: cis-dibromido{(S)-2,2'-diamino-1,1'-binaphthaline}palladium(II)
• Formula: C20 H16 Br2 N2 Pd
• Calculated formula: C20 H16 Br2 N2 Pd
• SMILES: [Pd]1(Br)(Br)[NH2]c2c(c3c(cc2)cccc3)c2c([NH2]1)ccc1ccccc21
• Title of publication: One-Step Preparation and Crystallization of Almost Insoluble Palladium(II) and Platinum(II/IV) Complexes from a Biphasic Solvent System
• Authors of publication: Böge, Matthias; Heck, Jürgen
• Journal of publication: Crystal Growth & Design
• Year of publication: 2015
• Journal volume: 15
• Journal issue: 11
• Pages of publication: 5280
• a: 19.366 ± 0.002 Å
• b: 7.5362 ± 0.0008 Å
• c: 12.7737 ± 0.0013 Å
• α: 90°
• β: 97.854 ± 0.001°
• γ: 90°
• Cell volume: 1846.8 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0269
• Residual factor for significantly intense reflections: 0.024
• Weighted residual factors for significantly intense reflections: 0.0523
• Weighted residual factors for all reflections included in the refinement: 0.0539
• Goodness-of-fit parameter for all reflections included in the refinement: 0.752
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No