Information card for entry 7021144

Structure parameters

• Formula: C29 H32 N2 O4 Pd
• Calculated formula: C29 H32 N2 O4 Pd
• SMILES: [Pd]1(OC(=O)c2ccc3ccccc3c2c2c(C(=O)O)ccc3c2cccc3)([N](C)(C)CC[N]1(C)C)C
• 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: 9.5931 ± 0.0019 Å
• b: 12.862 ± 0.003 Å
• c: 11.787 ± 0.002 Å
• α: 90°
• β: 113.4 ± 0.03°
• γ: 90°
• Cell volume: 1334.7 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0567
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.09
• Weighted residual factors for all reflections included in the refinement: 0.0933
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No