Information card for entry 4312115

Structure parameters

• Common name: [PdCl2(hppH)2] orthorhombic
• Formula: C14 H26 Cl2 N6 Pd
• Calculated formula: C14 H26 Cl2 N6 Pd
• SMILES: [Pd](Cl)(Cl)([N]1=C2NCCCN2CCC1)[N]1=C2NCCCN2CCC1
• 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: 9.3182 ± 0.0005 Å
• b: 12.1779 ± 0.0004 Å
• c: 15.3485 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1741.69 ± 0.15 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: 0.0273
• Residual factor for significantly intense reflections: 0.0253
• Weighted residual factors for significantly intense reflections: 0.0623
• Weighted residual factors for all reflections included in the refinement: 0.0639
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No