Information card for entry 7021148

Structure parameters

• Formula: C28 H42 Cl2 N2 O2 Pd
• Calculated formula: C28 H42 Cl2 N2 O2 Pd
• SMILES: [Pd]1(Oc2ccc3CCCCc3c2c2c(O)ccc3CCCCc23)([N](C)(C)CC[N]1(C)C)C.ClCCl
• Title of publication: Synthesis and X-ray characterization of novel palladium(II) complexes with tunable chiral anionic counterions.
• Authors of publication: Cai, Yudong; Shi, Yian
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 15
• Pages of publication: 5232 - 5236
• a: 10.839 ± 0.002 Å
• b: 12.056 ± 0.002 Å
• c: 12.66 ± 0.003 Å
• α: 62.3 ± 0.03°
• β: 78.85 ± 0.03°
• γ: 89.82 ± 0.03°
• Cell volume: 1429.9 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0861
• Residual factor for significantly intense reflections: 0.0847
• Weighted residual factors for significantly intense reflections: 0.2123
• Weighted residual factors for all reflections included in the refinement: 0.2143
• Goodness-of-fit parameter for all reflections included in the refinement: 1.435
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No