Information card for entry 7024396

Structure parameters

• Formula: C16 H29 Cl N6 Pd
• Calculated formula: C16 H29 Cl N6 Pd
• SMILES: [Pd]1(Cl)([N]2=C3N(CCCN3CCC2)CN2C3=[N]1CCCN3CCC2)C
• Title of publication: Coordination of neutral, methylene bridged bis-guanidyls at palladium.
• Authors of publication: Khalaf, Majid S.; Oakley, Sarah H.; Coles, Martyn P.; Hitchcock, Peter B.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 6
• Pages of publication: 1635 - 1642
• a: 10.9381 ± 0.0003 Å
• b: 11.6842 ± 0.0004 Å
• c: 14.1258 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1805.32 ± 0.1 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: 0.0434
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.0628
• Weighted residual factors for all reflections included in the refinement: 0.0657
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No