Information card for entry 4312113

Structure parameters

• Formula: C15 H26 Cl2 N6 Pd
• Calculated formula: C15 H26 Cl2 N6 Pd
• SMILES: [Pd]1(Cl)(Cl)[N]2=C3N(CCCN3CCC2)CN2C3=[N]1CCCN3CCC2
• Title of publication: Multiple Coordination Geometries Supported by Methylene-Linked Guanidines
• Authors of publication: Sarah H. Oakley; Martyn P. Coles; Peter B. Hitchcock
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 7564 - 7566
• a: 10.8148 ± 0.0002 Å
• b: 11.7393 ± 0.0002 Å
• c: 14.0895 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1788.78 ± 0.06 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0201
• Residual factor for significantly intense reflections: 0.0192
• Weighted residual factors for significantly intense reflections: 0.0465
• Weighted residual factors for all reflections included in the refinement: 0.0469
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No