Information card for entry 4312114

Structure parameters

• Common name: [PdCl2(hppH)2] monoclinic
• 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: 7.9773 ± 0.0002 Å
• b: 8.8734 ± 0.0003 Å
• c: 12.3324 ± 0.0003 Å
• α: 90°
• β: 99.899 ± 0.002°
• γ: 90°
• Cell volume: 859.96 ± 0.04 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0237
• Residual factor for significantly intense reflections: 0.0207
• Weighted residual factors for significantly intense reflections: 0.0515
• Weighted residual factors for all reflections included in the refinement: 0.0533
• Goodness-of-fit parameter for all reflections included in the refinement: 0.953
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No